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

C11H17NO3S2 — CID 59654513

IUPACN-cyclopropyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)c1csc(S(=O)(=O)N(C)C2CC2)c1O
InChIInChI=1S/C11H17NO3S2/c1-7(2)9-6-16-11(10(9)13)17(14,15)12(3)8-4-5-8/h6-8,13H,4-5H2,1-3H3
InChIKeyGBVGEGILCHQYJI-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.36
Rot. Bonds4

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

N-cyclopropyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide (PubChem CID 59654513) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-cyclopropyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide
PubChem CID59654513
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC NameN-cyclopropyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)c1csc(S(=O)(=O)N(C)C2CC2)c1O
InChIInChI=1S/C11H17NO3S2/c1-7(2)9-6-16-11(10(9)13)17(14,15)12(3)8-4-5-8/h6-8,13H,4-5H2,1-3H3
InChIKeyGBVGEGILCHQYJI-UHFFFAOYSA-N
XLogP2.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.36
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 N-cyclopropyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-cyclopropyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide (CID 59654513) is N-cyclopropyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide is CC(C)c1csc(S(=O)(=O)N(C)C2CC2)c1O.
What is the InChIKey of N-cyclopropyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is GBVGEGILCHQYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-7(2)9-6-16-11(10(9)13)17(14,15)12(3)8-4-5-8/h6-8,13H,4-5H2,1-3H3.
What are the key properties of N-cyclopropyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide?
N-cyclopropyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 275.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 59654513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).