1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C10H15ClN4O3S — CID 35294197

IUPAC1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC(C(N)=O)CC2)c1Cl
InChIInChI=1S/C10H15ClN4O3S/c1-14-6-13-10(8(14)11)19(17,18)15-4-2-7(3-5-15)9(12)16/h6-7H,2-5H2,1H3,(H2,12,16)
InChIKeyGBWMSNRSKLGCTK-UHFFFAOYSA-N
MW306.78 g/mol
LogP-0.04
Rot. Bonds3

About 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 35294197) has the molecular formula C10H15ClN4O3S and a molecular weight of 306.78 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID35294197
Molecular FormulaC10H15ClN4O3S
Molecular Weight306.78 g/mol
Exact Mass306.06
IUPAC Name1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC(C(N)=O)CC2)c1Cl
InChIInChI=1S/C10H15ClN4O3S/c1-14-6-13-10(8(14)11)19(17,18)15-4-2-7(3-5-15)9(12)16/h6-7H,2-5H2,1H3,(H2,12,16)
InChIKeyGBWMSNRSKLGCTK-UHFFFAOYSA-N
XLogP-0.04
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 35294197) is 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is Cn1cnc(S(=O)(=O)N2CCC(C(N)=O)CC2)c1Cl.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is GBWMSNRSKLGCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O3S/c1-14-6-13-10(8(14)11)19(17,18)15-4-2-7(3-5-15)9(12)16/h6-7H,2-5H2,1H3,(H2,12,16).
What are the key properties of 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 306.78 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 35294197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).