(3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C19H19N3O3S2 — CID 9325562

IUPAC(3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C19H19N3O3S2/c23-19(21-16-8-1-5-14-6-2-10-20-18(14)16)15-7-3-11-22(13-15)27(24,25)17-9-4-12-26-17/h1-2,4-6,8-10,12,15H,3,7,11,13H2,(H,21,23)/t15-/m1/s1
InChIKeyVJVUUGKTUYBAJI-OAHLLOKOSA-N
MW401.51 g/mol
LogP3.34
Rot. Bonds4

About (3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 9325562) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is (3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID9325562
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name(3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C19H19N3O3S2/c23-19(21-16-8-1-5-14-6-2-10-20-18(14)16)15-7-3-11-22(13-15)27(24,25)17-9-4-12-26-17/h1-2,4-6,8-10,12,15H,3,7,11,13H2,(H,21,23)/t15-/m1/s1
InChIKeyVJVUUGKTUYBAJI-OAHLLOKOSA-N
XLogP3.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43013553
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46593797
1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 134160181
N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55412213
(3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 31942892
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826160
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450

Frequently Asked Questions

What is the IUPAC name of (3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 9325562) is (3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1cccc2cccnc12)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of (3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is VJVUUGKTUYBAJI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c23-19(21-16-8-1-5-14-6-2-10-20-18(14)16)15-7-3-11-22(13-15)27(24,25)17-9-4-12-26-17/h1-2,4-6,8-10,12,15H,3,7,11,13H2,(H,21,23)/t15-/m1/s1.
What are the key properties of (3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 9325562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).