2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole

C17H26N2O2S — CID 131962697

IUPAC2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole
SMILESCC1(C)Cc2ccccc2N1CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C17H26N2O2S/c1-17(2)11-15-8-4-5-9-16(15)19(17)13-14-7-6-10-18(12-14)22(3,20)21/h4-5,8-9,14H,6-7,10-13H2,1-3H3
InChIKeyFDNBOJOPRPTEEW-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.50
Rot. Bonds3

About 2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole

2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole (PubChem CID 131962697) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole.

Molecular Properties

Compound Name2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole
PubChem CID131962697
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole
SMILESCC1(C)Cc2ccccc2N1CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C17H26N2O2S/c1-17(2)11-15-8-4-5-9-16(15)19(17)13-14-7-6-10-18(12-14)22(3,20)21/h4-5,8-9,14H,6-7,10-13H2,1-3H3
InChIKeyFDNBOJOPRPTEEW-UHFFFAOYSA-N
XLogP2.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,3-dihydroisoindol-4-amine
CID 79610232
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine
CID 79612105
5-[(1-methylsulfonylpiperidin-3-yl)methyl]-4,6,7,8-tetrahydrothieno[3,2-c]azepine
CID 84586993
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
(3R)-3-[[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 129422437
2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine
CID 115918066
2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 79619745
3,3-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine-2,6-dione
CID 79619740
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
4-(1-methylsulfonylpiperidin-3-yl)-2-phenylbutan-1-amine
CID 81011290
[2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine
CID 79623257
5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine
CID 79622158

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole?
The IUPAC name of 2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole (CID 131962697) is 2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole.
What is the SMILES notation for 2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole?
The canonical SMILES for 2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole is CC1(C)Cc2ccccc2N1CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole?
The InChIKey is FDNBOJOPRPTEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-17(2)11-15-8-4-5-9-16(15)19(17)13-14-7-6-10-18(12-14)22(3,20)21/h4-5,8-9,14H,6-7,10-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole?
2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole has a molecular weight of 322.47 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole is sourced from PubChem (CID 131962697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).