3-hydroxy-N,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide

C9H15NO3S2 — CID 20795759

IUPAC3-hydroxy-N,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)c1csc(S(=O)(=O)N(C)C)c1O
InChIInChI=1S/C9H15NO3S2/c1-6(2)7-5-14-9(8(7)11)15(12,13)10(3)4/h5-6,11H,1-4H3
InChIKeyMGWQDHKCSLMTSQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.83
Rot. Bonds3

About 3-hydroxy-N,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide

3-hydroxy-N,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide (PubChem CID 20795759) has the molecular formula C9H15NO3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide
PubChem CID20795759
Molecular FormulaC9H15NO3S2
Molecular Weight249.36 g/mol
Exact Mass249.05
IUPAC Name3-hydroxy-N,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)c1csc(S(=O)(=O)N(C)C)c1O
InChIInChI=1S/C9H15NO3S2/c1-6(2)7-5-14-9(8(7)11)15(12,13)10(3)4/h5-6,11H,1-4H3
InChIKeyMGWQDHKCSLMTSQ-UHFFFAOYSA-N
XLogP1.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
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,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 3-hydroxy-N,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide (CID 20795759) is 3-hydroxy-N,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 3-hydroxy-N,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide is CC(C)c1csc(S(=O)(=O)N(C)C)c1O.
What is the InChIKey of 3-hydroxy-N,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is MGWQDHKCSLMTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S2/c1-6(2)7-5-14-9(8(7)11)15(12,13)10(3)4/h5-6,11H,1-4H3.
What are the key properties of 3-hydroxy-N,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide?
3-hydroxy-N,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 249.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethyl-4-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 20795759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).