3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole

C76H100FN13O8S5 — CID 157055142

IUPAC3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole
SMILESC=S(C)(=O)N1CCC(C2C(=O)Nc3cc(F)ccc32)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3ccc(C#N)cc23)CC1.C=S(C)(=O)N1CCN(C2C=Nc3ccccc32)CC1C.CC1(C)CN(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O.CC1CN(S(C)(=O)=O)CCC1c1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3OS.C15H19FN2O2S.C15H21N3O2S.C15H21N3OS.C15H20N2O2S/c1-21(2,20)19-7-5-13(6-8-19)15-11-18-16-4-3-12(10-17)9-14(15)16;1-21(2,20)18-7-5-10(6-8-18)14-12-4-3-11(16)9-13(12)17-15(14)19;1-15(2)11-17(8-9-18(15)21(3,19)20)14-10-16-13-7-5-4-6-12(13)14;1-12-11-17(8-9-18(12)20(2,3)19)15-10-16-14-7-5-4-6-13(14)15;1-11-10-17(20(2,18)19)8-7-12(11)14-9-16-15-6-4-3-5-13(14)15/h3-4,9,11,13,18H,1,5-8H2,2H3;3-4,9-10,14H,1,5-8H2,2H3,(H,17,19);4-7,10,16H,8-9,11H2,1-3H3;4-7,10,12,15H,2,8-9,11H2,1,3H3;3-6,9,11-12,16H,7-8,10H2,1-2H3
InChIKeyAAQXMSKLRCDSGO-UHFFFAOYSA-N
MW1503.05 g/mol
LogP10.61
Rot. Bonds10

About 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole

3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole (PubChem CID 157055142) has the molecular formula C76H100FN13O8S5 and a molecular weight of 1503.05 g/mol. Its IUPAC name is 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole
PubChem CID157055142
Molecular FormulaC76H100FN13O8S5
Molecular Weight1503.05 g/mol
Exact Mass1501.64
IUPAC Name3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole
SMILESC=S(C)(=O)N1CCC(C2C(=O)Nc3cc(F)ccc32)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3ccc(C#N)cc23)CC1.C=S(C)(=O)N1CCN(C2C=Nc3ccccc32)CC1C.CC1(C)CN(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O.CC1CN(S(C)(=O)=O)CCC1c1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3OS.C15H19FN2O2S.C15H21N3O2S.C15H21N3OS.C15H20N2O2S/c1-21(2,20)19-7-5-13(6-8-19)15-11-18-16-4-3-12(10-17)9-14(15)16;1-21(2,20)18-7-5-10(6-8-18)14-12-4-3-11(16)9-13(12)17-15(14)19;1-15(2)11-17(8-9-18(15)21(3,19)20)14-10-16-13-7-5-4-6-12(13)14;1-12-11-17(8-9-18(12)20(2,3)19)15-10-16-14-7-5-4-6-13(14)15;1-11-10-17(20(2,18)19)8-7-12(11)14-9-16-15-6-4-3-5-13(14)15/h3-4,9,11,13,18H,1,5-8H2,2H3;3-4,9-10,14H,1,5-8H2,2H3,(H,17,19);4-7,10,16H,8-9,11H2,1-3H3;4-7,10,12,15H,2,8-9,11H2,1,3H3;3-6,9,11-12,16H,7-8,10H2,1-2H3
InChIKeyAAQXMSKLRCDSGO-UHFFFAOYSA-N
XLogP10.61
TPSA254.79 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001503.05
LogP ≤ 510.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-3-[4-(trifluoromethylsulfonyl)piperazin-1-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 157312238
6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(1H-indol-3-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 157598311
6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 159134273
3-(1-acetylpiperidin-4-yl)-1H-indole-5-carbonitrile;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159436815
1-acetyl-4-(1H-indol-3-yl)piperazine-2-carbonitrile;6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 159699842
1-acetyl-4-(1H-indol-3-yl)piperazine-2-carbonitrile;6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one;4-(2-oxo-1,3-dihydroindol-3-yl)piperazine-1-sulfonamide
CID 160496855
6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 160524766
5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(1H-indol-3-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 161637146
5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroindol-2-one;6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone;4-(1H-indol-3-yl)-N-methylpiperidine-1-sulfonamide
CID 161735923
1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one
CID 157272677
(E)-6-(diethylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]hex-3-ene-1-sulfonamide;5-(diethylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]pentanamide;(3Z)-7-(2,6-difluorophenyl)-3-[[3,5-dimethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanesulfonamide
CID 157530493
1-[4-[(dimethylamino)methyl]-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N,N-dimethylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]-N-methylmethanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine
CID 157582920

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole?
The IUPAC name of 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole (CID 157055142) is 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole is C=S(C)(=O)N1CCC(C2C(=O)Nc3cc(F)ccc32)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3ccc(C#N)cc23)CC1.C=S(C)(=O)N1CCN(C2C=Nc3ccccc32)CC1C.CC1(C)CN(c2c[nH]c3ccccc23)CCN1S(C)(=O)=O.CC1CN(S(C)(=O)=O)CCC1c1c[nH]c2ccccc12.
What is the InChIKey of 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole?
The InChIKey is AAQXMSKLRCDSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS.C15H19FN2O2S.C15H21N3O2S.C15H21N3OS.C15H20N2O2S/c1-21(2,20)19-7-5-13(6-8-19)15-11-18-16-4-3-12(10-17)9-14(15)16;1-21(2,20)18-7-5-10(6-8-18)14-12-4-3-11(16)9-13(12)17-15(14)19;1-15(2)11-17(8-9-18(15)21(3,19)20)14-10-16-13-7-5-4-6-12(13)14;1-12-11-17(8-9-18(12)20(2,3)19)15-10-16-14-7-5-4-6-13(14)15;1-11-10-17(20(2,18)19)8-7-12(11)14-9-16-15-6-4-3-5-13(14)15/h3-4,9,11,13,18H,1,5-8H2,2H3;3-4,9-10,14H,1,5-8H2,2H3,(H,17,19);4-7,10,16H,8-9,11H2,1-3H3;4-7,10,12,15H,2,8-9,11H2,1,3H3;3-6,9,11-12,16H,7-8,10H2,1-2H3.
What are the key properties of 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole?
3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole has a molecular weight of 1503.05 g/mol, XLogP of 10.61, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 157055142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).