(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide

C20H24N2O3S2 — CID 94624120

IUPAC(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
SMILESCCSc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H24N2O3S2/c1-2-26-19-13-7-6-12-18(19)21-20(23)16-9-8-14-22(15-16)27(24,25)17-10-4-3-5-11-17/h3-7,10-13,16H,2,8-9,14-15H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyHTQPPKMNWSRLOB-MRXNPFEDSA-N
MW404.56 g/mol
LogP3.84
Rot. Bonds6

About (3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide

(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide (PubChem CID 94624120) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is (3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
PubChem CID94624120
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC Name(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
SMILESCCSc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H24N2O3S2/c1-2-26-19-13-7-6-12-18(19)21-20(23)16-9-8-14-22(15-16)27(24,25)17-10-4-3-5-11-17/h3-7,10-13,16H,2,8-9,14-15H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyHTQPPKMNWSRLOB-MRXNPFEDSA-N
XLogP3.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2-ethylsulfanylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100669876
(3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 93487559
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730
(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94013191
(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 1445014
1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133167754
N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
CID 94624117
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 46430810
(3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 39499198
1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133167756
1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 131888945
(3R)-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100670784

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide (CID 94624120) is (3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide is CCSc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide?
The InChIKey is HTQPPKMNWSRLOB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c1-2-26-19-13-7-6-12-18(19)21-20(23)16-9-8-14-22(15-16)27(24,25)17-10-4-3-5-11-17/h3-7,10-13,16H,2,8-9,14-15H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of (3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide?
(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 94624120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).