1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide

C13H19NO3S — CID 64987830

IUPAC1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide
SMILESCCN(c1cc(O)ccc1C)S(=O)(=O)CC1CC1
InChIInChI=1S/C13H19NO3S/c1-3-14(18(16,17)9-11-5-6-11)13-8-12(15)7-4-10(13)2/h4,7-8,11,15H,3,5-6,9H2,1-2H3
InChIKeyZABZYSVDXNYGCY-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.27
Rot. Bonds5

About 1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide

1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide (PubChem CID 64987830) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide
PubChem CID64987830
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide
SMILESCCN(c1cc(O)ccc1C)S(=O)(=O)CC1CC1
InChIInChI=1S/C13H19NO3S/c1-3-14(18(16,17)9-11-5-6-11)13-8-12(15)7-4-10(13)2/h4,7-8,11,15H,3,5-6,9H2,1-2H3
InChIKeyZABZYSVDXNYGCY-UHFFFAOYSA-N
XLogP2.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide (CID 64987830) is 1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide is CCN(c1cc(O)ccc1C)S(=O)(=O)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide?
The InChIKey is ZABZYSVDXNYGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-14(18(16,17)9-11-5-6-11)13-8-12(15)7-4-10(13)2/h4,7-8,11,15H,3,5-6,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide?
1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 64987830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).