1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide

C10H13ClN2O3S2 — CID 18078359

IUPAC1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H13ClN2O3S2/c11-8-1-2-9(17-8)18(15,16)13-5-3-7(4-6-13)10(12)14/h1-2,7H,3-6H2,(H2,12,14)
InChIKeyZQNFCPQBVRPSPL-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.29
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide

1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 18078359) has the molecular formula C10H13ClN2O3S2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
PubChem CID18078359
Molecular FormulaC10H13ClN2O3S2
Molecular Weight308.81 g/mol
Exact Mass308.01
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H13ClN2O3S2/c11-8-1-2-9(17-8)18(15,16)13-5-3-7(4-6-13)10(12)14/h1-2,7H,3-6H2,(H2,12,14)
InChIKeyZQNFCPQBVRPSPL-UHFFFAOYSA-N
XLogP1.29
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77039217
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 113002500
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 16803661
[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797097
(1-carbamoyl-2-adamantyl) 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxylate
CID 90840785
1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 154774764
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31137350
4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
CID 2943089

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide (CID 18078359) is 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide is NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is ZQNFCPQBVRPSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S2/c11-8-1-2-9(17-8)18(15,16)13-5-3-7(4-6-13)10(12)14/h1-2,7H,3-6H2,(H2,12,14).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 1.29, 3 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)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 18078359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).