(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide

C22H25N3O3S — CID 35769793

IUPAC(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H25N3O3S/c26-22(23-14-13-17-16-24-20-11-5-4-10-19(17)20)21-12-6-7-15-25(21)29(27,28)18-8-2-1-3-9-18/h1-5,8-11,16,21,24H,6-7,12-15H2,(H,23,26)/t21-/m0/s1
InChIKeyBWRZHSGOKXWXJB-NRFANRHFSA-N
MW411.53 g/mol
LogP3.07
Rot. Bonds6

About (2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide

(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide (PubChem CID 35769793) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
PubChem CID35769793
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H25N3O3S/c26-22(23-14-13-17-16-24-20-11-5-4-10-19(17)20)21-12-6-7-15-25(21)29(27,28)18-8-2-1-3-9-18/h1-5,8-11,16,21,24H,6-7,12-15H2,(H,23,26)/t21-/m0/s1
InChIKeyBWRZHSGOKXWXJB-NRFANRHFSA-N
XLogP3.07
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 94139500
phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 175180660
(3R)-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 41063066
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119500164
1-(benzenesulfonyl)-N-(2-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 42907960
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 41140150
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide
CID 78781172

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide (CID 35769793) is (2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is BWRZHSGOKXWXJB-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N3O3S/c26-22(23-14-13-17-16-24-20-11-5-4-10-19(17)20)21-12-6-7-15-25(21)29(27,28)18-8-2-1-3-9-18/h1-5,8-11,16,21,24H,6-7,12-15H2,(H,23,26)/t21-/m0/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide?
(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 35769793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).