4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide

C13H16N4O3S2 — CID 56801174

IUPAC4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCCC(n3ccnc3)C2)cs1
InChIInChI=1S/C13H16N4O3S2/c14-22(19,20)12-6-10(8-21-12)13(18)16-4-1-2-11(7-16)17-5-3-15-9-17/h3,5-6,8-9,11H,1-2,4,7H2,(H2,14,19,20)
InChIKeyIILASIQMLCXTQW-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.07
Rot. Bonds3

About 4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide

4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide (PubChem CID 56801174) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide
PubChem CID56801174
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC Name4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCCC(n3ccnc3)C2)cs1
InChIInChI=1S/C13H16N4O3S2/c14-22(19,20)12-6-10(8-21-12)13(18)16-4-1-2-11(7-16)17-5-3-15-9-17/h3,5-6,8-9,11H,1-2,4,7H2,(H2,14,19,20)
InChIKeyIILASIQMLCXTQW-UHFFFAOYSA-N
XLogP1.07
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide (CID 56801174) is 4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide is NS(=O)(=O)c1cc(C(=O)N2CCCC(n3ccnc3)C2)cs1.
What is the InChIKey of 4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide?
The InChIKey is IILASIQMLCXTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c14-22(19,20)12-6-10(8-21-12)13(18)16-4-1-2-11(7-16)17-5-3-15-9-17/h3,5-6,8-9,11H,1-2,4,7H2,(H2,14,19,20).
What are the key properties of 4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide?
4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide has a molecular weight of 340.43 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 56801174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).