1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole

C21H24N2O2S — CID 113087267

IUPAC1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole
SMILESCc1cccc(S(=O)(=O)N2CCC(c3cn(C)c4ccccc34)CC2)c1
InChIInChI=1S/C21H24N2O2S/c1-16-6-5-7-18(14-16)26(24,25)23-12-10-17(11-13-23)20-15-22(2)21-9-4-3-8-19(20)21/h3-9,14-15,17H,10-13H2,1-2H3
InChIKeyILLIVCXPSZWXJS-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.06
Rot. Bonds3

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

1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole (PubChem CID 113087267) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole.

Molecular Properties

Compound Name1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole
PubChem CID113087267
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole
SMILESCc1cccc(S(=O)(=O)N2CCC(c3cn(C)c4ccccc34)CC2)c1
InChIInChI=1S/C21H24N2O2S/c1-16-6-5-7-18(14-16)26(24,25)23-12-10-17(11-13-23)20-15-22(2)21-9-4-3-8-19(20)21/h3-9,14-15,17H,10-13H2,1-2H3
InChIKeyILLIVCXPSZWXJS-UHFFFAOYSA-N
XLogP4.06
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole
CID 113087249
3-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1-(2-ethoxyethyl)indole
CID 46090001
1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine
CID 90522429
5-methoxy-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087583
[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
CID 110394034
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
[3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 46103714
1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole
CID 166376440
N-cyclopropyl-4-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 113087241

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole?
The IUPAC name of 1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole (CID 113087267) is 1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole.
What is the SMILES notation for 1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole?
The canonical SMILES for 1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole is Cc1cccc(S(=O)(=O)N2CCC(c3cn(C)c4ccccc34)CC2)c1.
What is the InChIKey of 1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole?
The InChIKey is ILLIVCXPSZWXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-16-6-5-7-18(14-16)26(24,25)23-12-10-17(11-13-23)20-15-22(2)21-9-4-3-8-19(20)21/h3-9,14-15,17H,10-13H2,1-2H3.
What are the key properties of 1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole?
1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole has a molecular weight of 368.50 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole is sourced from PubChem (CID 113087267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).