(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C15H19N3O3S — CID 29139344

IUPAC(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCn1c(C(=O)N2CCN(S(C)(=O)=O)CC2)cc2ccccc21
InChIInChI=1S/C15H19N3O3S/c1-16-13-6-4-3-5-12(13)11-14(16)15(19)17-7-9-18(10-8-17)22(2,20)21/h3-6,11H,7-10H2,1-2H3
InChIKeyYNHBIZLENXTKCC-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.90
Rot. Bonds2

About (1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 29139344) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID29139344
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCn1c(C(=O)N2CCN(S(C)(=O)=O)CC2)cc2ccccc21
InChIInChI=1S/C15H19N3O3S/c1-16-13-6-4-3-5-12(13)11-14(16)15(19)17-7-9-18(10-8-17)22(2,20)21/h3-6,11H,7-10H2,1-2H3
InChIKeyYNHBIZLENXTKCC-UHFFFAOYSA-N
XLogP0.90
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 71828608
(1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 164547017
(2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone
CID 55881568
(1-methylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 7329083
(1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 5174174
(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
CID 155873055
(1-methylindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380576
(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 91958654
(1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809906
(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 46977726
pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 46199909
formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
CID 155873054

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 29139344) is (1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is Cn1c(C(=O)N2CCN(S(C)(=O)=O)CC2)cc2ccccc21.
What is the InChIKey of (1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is YNHBIZLENXTKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-16-13-6-4-3-5-12(13)11-14(16)15(19)17-7-9-18(10-8-17)22(2,20)21/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 321.40 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 29139344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).