N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide

C10H21NO3S — CID 95984653

IUPACN-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide
SMILESCC(C)(C)[C@@H](O)CCNS(=O)(=O)C1CC1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)9(12)6-7-11-15(13,14)8-4-5-8/h8-9,11-12H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyUSHJZKTZIWPXAV-VIFPVBQESA-N
MW235.35 g/mol
LogP0.87
Rot. Bonds5

About N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide

N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide (PubChem CID 95984653) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide
PubChem CID95984653
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide
SMILESCC(C)(C)[C@@H](O)CCNS(=O)(=O)C1CC1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)9(12)6-7-11-15(13,14)8-4-5-8/h8-9,11-12H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyUSHJZKTZIWPXAV-VIFPVBQESA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide 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 N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide?
The IUPAC name of N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide (CID 95984653) is N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide is CC(C)(C)[C@@H](O)CCNS(=O)(=O)C1CC1.
What is the InChIKey of N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide?
The InChIKey is USHJZKTZIWPXAV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2,3)9(12)6-7-11-15(13,14)8-4-5-8/h8-9,11-12H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide?
N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-4,4-dimethylpentyl]cyclopropanesulfonamide is sourced from PubChem (CID 95984653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).