(3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide

C17H22N2O3S3 — CID 35368613

IUPAC(3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccsc3)C2)s1
InChIInChI=1S/C17H22N2O3S3/c1-13-5-6-16(24-13)25(21,22)19-8-3-4-15(11-19)17(20)18(2)10-14-7-9-23-12-14/h5-7,9,12,15H,3-4,8,10-11H2,1-2H3/t15-/m1/s1
InChIKeyJXLFPXMDMAWLSH-OAHLLOKOSA-N
MW398.58 g/mol
LogP3.18
Rot. Bonds5

About (3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide

(3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 35368613) has the molecular formula C17H22N2O3S3 and a molecular weight of 398.58 g/mol. Its IUPAC name is (3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
PubChem CID35368613
Molecular FormulaC17H22N2O3S3
Molecular Weight398.58 g/mol
Exact Mass398.08
IUPAC Name(3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccsc3)C2)s1
InChIInChI=1S/C17H22N2O3S3/c1-13-5-6-16(24-13)25(21,22)19-8-3-4-15(11-19)17(20)18(2)10-14-7-9-23-12-14/h5-7,9,12,15H,3-4,8,10-11H2,1-2H3/t15-/m1/s1
InChIKeyJXLFPXMDMAWLSH-OAHLLOKOSA-N
XLogP3.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119233258
1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 42940551
N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 60622079
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
N-(2-fluorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 75419057
N-(2-methoxyethyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-pentan-3-ylpiperidine-3-carboxamide
CID 55663936
(3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 35753696
(3R)-N-methyl-N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100665394
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18113933
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55797970

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide (CID 35368613) is (3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccsc3)C2)s1.
What is the InChIKey of (3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is JXLFPXMDMAWLSH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O3S3/c1-13-5-6-16(24-13)25(21,22)19-8-3-4-15(11-19)17(20)18(2)10-14-7-9-23-12-14/h5-7,9,12,15H,3-4,8,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
(3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 398.58 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 35368613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).