4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole

C16H22N2O2S — CID 116620114

IUPAC4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
SMILESCc1cccc2c1ccn2CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H22N2O2S/c1-13-5-3-7-16-15(13)8-10-17(16)11-14-6-4-9-18(12-14)21(2,19)20/h3,5,7-8,10,14H,4,6,9,11-12H2,1-2H3
InChIKeySVOMJQYZCPQONF-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.62
Rot. Bonds3

About 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole

4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole (PubChem CID 116620114) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole.

Molecular Properties

Compound Name4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
PubChem CID116620114
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
SMILESCc1cccc2c1ccn2CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H22N2O2S/c1-13-5-3-7-16-15(13)8-10-17(16)11-14-6-4-9-18(12-14)21(2,19)20/h3,5,7-8,10,14H,4,6,9,11-12H2,1-2H3
InChIKeySVOMJQYZCPQONF-UHFFFAOYSA-N
XLogP2.62
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]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

4-bromo-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
CID 116626214
5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
CID 116623347
1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine
CID 114935740
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine
CID 79612105
1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrole-2-carbothioamide
CID 114653800
(3R)-3-[[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 129422437
5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one
CID 79611479
1-[(1-methylsulfonylpiperidin-3-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 79611507
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,3-dihydroisoindol-4-amine
CID 79610232
(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 113249309
4-methyl-1-(2-piperidin-4-ylethyl)indole
CID 61348096
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole
CID 116620406

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole?
The IUPAC name of 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole (CID 116620114) is 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole.
What is the SMILES notation for 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole?
The canonical SMILES for 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole is Cc1cccc2c1ccn2CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole?
The InChIKey is SVOMJQYZCPQONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-13-5-3-7-16-15(13)8-10-17(16)11-14-6-4-9-18(12-14)21(2,19)20/h3,5,7-8,10,14H,4,6,9,11-12H2,1-2H3.
What are the key properties of 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole?
4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole has a molecular weight of 306.43 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole is sourced from PubChem (CID 116620114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).