(1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

C17H23N3O3S — CID 110809906

IUPAC(1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESCc1c(C(=O)N2CCCN(S(C)(=O)=O)CC2)c2ccccc2n1C
InChIInChI=1S/C17H23N3O3S/c1-13-16(14-7-4-5-8-15(14)18(13)2)17(21)19-9-6-10-20(12-11-19)24(3,22)23/h4-5,7-8H,6,9-12H2,1-3H3
InChIKeyQVTPQIOVOIFGQF-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.59
Rot. Bonds2

About (1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

(1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone (PubChem CID 110809906) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
PubChem CID110809906
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESCc1c(C(=O)N2CCCN(S(C)(=O)=O)CC2)c2ccccc2n1C
InChIInChI=1S/C17H23N3O3S/c1-13-16(14-7-4-5-8-15(14)18(13)2)17(21)19-9-6-10-20(12-11-19)24(3,22)23/h4-5,7-8H,6,9-12H2,1-3H3
InChIKeyQVTPQIOVOIFGQF-UHFFFAOYSA-N
XLogP1.59
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone 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

4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805060
methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate
CID 110803299
(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
CID 82300062
cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone
CID 110801629
1-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803980
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815350
2-(1,2-dimethylindol-3-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110804596
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110801875
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
(2-chloro-6-fluorophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110738791
(2-bromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 1244172

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone (CID 110809906) is (1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone is Cc1c(C(=O)N2CCCN(S(C)(=O)=O)CC2)c2ccccc2n1C.
What is the InChIKey of (1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone?
The InChIKey is QVTPQIOVOIFGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13-16(14-7-4-5-8-15(14)18(13)2)17(21)19-9-6-10-20(12-11-19)24(3,22)23/h4-5,7-8H,6,9-12H2,1-3H3.
What are the key properties of (1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone?
(1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone has a molecular weight of 349.46 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 110809906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).