(3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide

C22H31N3O3S — CID 92712238

IUPAC(3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCCC4)C3)ccc21
InChIInChI=1S/C22H31N3O3S/c1-24-14-12-17-15-20(10-11-21(17)24)29(27,28)25-13-6-7-18(16-25)22(26)23-19-8-4-2-3-5-9-19/h10-12,14-15,18-19H,2-9,13,16H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyMLGOLNUDQXXABT-SFHVURJKSA-N
MW417.58 g/mol
LogP3.42
Rot. Bonds4

About (3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide

(3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 92712238) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is (3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
PubChem CID92712238
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC Name(3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCCC4)C3)ccc21
InChIInChI=1S/C22H31N3O3S/c1-24-14-12-17-15-20(10-11-21(17)24)29(27,28)25-13-6-7-18(16-25)22(26)23-19-8-4-2-3-5-9-19/h10-12,14-15,18-19H,2-9,13,16H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyMLGOLNUDQXXABT-SFHVURJKSA-N
XLogP3.42
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92712242
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
(3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92765113
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
(3S)-N-cyclohexyl-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92871219
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903556
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
N-cycloheptyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2979454
1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
CID 69262233
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide (CID 92712238) is (3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide is Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCCC4)C3)ccc21.
What is the InChIKey of (3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is MLGOLNUDQXXABT-SFHVURJKSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-24-14-12-17-15-20(10-11-21(17)24)29(27,28)25-13-6-7-18(16-25)22(26)23-19-8-4-2-3-5-9-19/h10-12,14-15,18-19H,2-9,13,16H2,1H3,(H,23,26)/t18-/m0/s1.
What are the key properties of (3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide?
(3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 417.58 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92712238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).