1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide

C13H19ClN2O3S2 — CID 113002500

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H19ClN2O3S2/c1-9(2)15-13(17)10-5-7-16(8-6-10)21(18,19)12-4-3-11(14)20-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,17)
InChIKeyJYIIGZZYJMQPJY-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.33
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 113002500) has the molecular formula C13H19ClN2O3S2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID113002500
Molecular FormulaC13H19ClN2O3S2
Molecular Weight350.89 g/mol
Exact Mass350.05
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H19ClN2O3S2/c1-9(2)15-13(17)10-5-7-16(8-6-10)21(18,19)12-4-3-11(14)20-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,17)
InChIKeyJYIIGZZYJMQPJY-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 16803661
(2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide
CID 95088901
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide
CID 53119077
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77039217
methyl 2-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 41100151
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 53031704
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 9304360
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide
CID 16830604
N-[(3S)-3-(azepan-1-yl)butyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 95088784

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide (CID 113002500) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is JYIIGZZYJMQPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S2/c1-9(2)15-13(17)10-5-7-16(8-6-10)21(18,19)12-4-3-11(14)20-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,17).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 350.89 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 113002500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).