3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide

C8H13NO3S2 — CID 59654498

IUPAC3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1scc(C(C)C)c1O
InChIInChI=1S/C8H13NO3S2/c1-5(2)6-4-13-8(7(6)10)14(11,12)9-3/h4-5,9-10H,1-3H3
InChIKeyQQQSICIOYRRXOQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.49
Rot. Bonds3

About 3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide

3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide (PubChem CID 59654498) has the molecular formula C8H13NO3S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide
PubChem CID59654498
Molecular FormulaC8H13NO3S2
Molecular Weight235.33 g/mol
Exact Mass235.03
IUPAC Name3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1scc(C(C)C)c1O
InChIInChI=1S/C8H13NO3S2/c1-5(2)6-4-13-8(7(6)10)14(11,12)9-3/h4-5,9-10H,1-3H3
InChIKeyQQQSICIOYRRXOQ-UHFFFAOYSA-N
XLogP1.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide (CID 59654498) is 3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide is CNS(=O)(=O)c1scc(C(C)C)c1O.
What is the InChIKey of 3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is QQQSICIOYRRXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S2/c1-5(2)6-4-13-8(7(6)10)14(11,12)9-3/h4-5,9-10H,1-3H3.
What are the key properties of 3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide?
3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 235.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 59654498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).