(3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C18H22N2O3S2 — CID 95088355

IUPAC(3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESC[C@@]1(C(=O)NCc2ccccc2)CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C18H22N2O3S2/c1-18(17(21)19-13-15-7-3-2-4-8-15)10-6-11-20(14-18)25(22,23)16-9-5-12-24-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3,(H,19,21)/t18-/m1/s1
InChIKeySLYQFEVGCAHWGW-GOSISDBHSA-N
MW378.52 g/mol
LogP2.86
Rot. Bonds5

About (3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 95088355) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID95088355
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name(3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESC[C@@]1(C(=O)NCc2ccccc2)CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C18H22N2O3S2/c1-18(17(21)19-13-15-7-3-2-4-8-15)10-6-11-20(14-18)25(22,23)16-9-5-12-24-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3,(H,19,21)/t18-/m1/s1
InChIKeySLYQFEVGCAHWGW-GOSISDBHSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95088354
3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135547
(3R)-N-benzyl-1-(4-ethylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
CID 95088364
(3S)-1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088115
N-[(4-fluorophenyl)methyl]-4-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 53070906
(3S)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
CID 95088348
(3R)-N-benzyl-1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
CID 95088349
(3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95087584
(3R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088130
(3R)-N-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
CID 95088363
(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088289
(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088412

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 95088355) is (3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is C[C@@]1(C(=O)NCc2ccccc2)CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of (3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is SLYQFEVGCAHWGW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-18(17(21)19-13-15-7-3-2-4-8-15)10-6-11-20(14-18)25(22,23)16-9-5-12-24-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3,(H,19,21)/t18-/m1/s1.
What are the key properties of (3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 95088355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).