4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide

C9H16N2O3S2 — CID 60723581

IUPAC4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide
SMILESCCCCCNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C9H16N2O3S2/c1-3-4-5-6-10-16(13,14)8-7(2)11-9(12)15-8/h10H,3-6H2,1-2H3,(H,11,12)
InChIKeySARBNACFBCJUQI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.21
Rot. Bonds6

About 4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60723581) has the molecular formula C9H16N2O3S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide
PubChem CID60723581
Molecular FormulaC9H16N2O3S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC Name4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide
SMILESCCCCCNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C9H16N2O3S2/c1-3-4-5-6-10-16(13,14)8-7(2)11-9(12)15-8/h10H,3-6H2,1-2H3,(H,11,12)
InChIKeySARBNACFBCJUQI-UHFFFAOYSA-N
XLogP1.21
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide (CID 60723581) is 4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide is CCCCCNS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of 4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is SARBNACFBCJUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2/c1-3-4-5-6-10-16(13,14)8-7(2)11-9(12)15-8/h10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 264.37 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60723581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).