4-methyl-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide

C10H18N2O3S2 — CID 54913972

IUPAC4-methyl-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCC(C)C
InChIInChI=1S/C10H18N2O3S2/c1-7(2)5-4-6-11-17(14,15)9-8(3)12-10(13)16-9/h7,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyQOEHWFOPWJRHFE-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.46
Rot. Bonds6

About 4-methyl-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide

4-methyl-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 54913972) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-methyl-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID54913972
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC Name4-methyl-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCC(C)C
InChIInChI=1S/C10H18N2O3S2/c1-7(2)5-4-6-11-17(14,15)9-8(3)12-10(13)16-9/h7,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyQOEHWFOPWJRHFE-UHFFFAOYSA-N
XLogP1.46
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.46
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-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 54913972) is 4-methyl-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCCCC(C)C.
What is the InChIKey of 4-methyl-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is QOEHWFOPWJRHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2/c1-7(2)5-4-6-11-17(14,15)9-8(3)12-10(13)16-9/h7,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 4-methyl-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
4-methyl-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 278.40 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylpentyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54913972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).