3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide

C8H13N3O2S2 — CID 67261797

IUPAC3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC(c2nccs2)C1
InChIInChI=1S/C8H13N3O2S2/c9-15(12,13)11-4-1-2-7(6-11)8-10-3-5-14-8/h3,5,7H,1-2,4,6H2,(H2,9,12,13)
InChIKeyBNYGQNCRMVZEOD-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.53
Rot. Bonds2

About 3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide

3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide (PubChem CID 67261797) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide
PubChem CID67261797
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC(c2nccs2)C1
InChIInChI=1S/C8H13N3O2S2/c9-15(12,13)11-4-1-2-7(6-11)8-10-3-5-14-8/h3,5,7H,1-2,4,6H2,(H2,9,12,13)
InChIKeyBNYGQNCRMVZEOD-UHFFFAOYSA-N
XLogP0.53
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide (CID 67261797) is 3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide is NS(=O)(=O)N1CCCC(c2nccs2)C1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide?
The InChIKey is BNYGQNCRMVZEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c9-15(12,13)11-4-1-2-7(6-11)8-10-3-5-14-8/h3,5,7H,1-2,4,6H2,(H2,9,12,13).
What are the key properties of 3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide?
3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide has a molecular weight of 247.34 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 67261797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).