N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide

C11H23NO3S — CID 114631559

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C11H23NO3S/c1-10(2,3)7-16(14,15)12-8-6-9(13)11(8,4)5/h8-9,12-13H,6-7H2,1-5H3
InChIKeyCMZLAJHJMDRWLD-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.11
Rot. Bonds3

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 114631559) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide
PubChem CID114631559
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C11H23NO3S/c1-10(2,3)7-16(14,15)12-8-6-9(13)11(8,4)5/h8-9,12-13H,6-7H2,1-5H3
InChIKeyCMZLAJHJMDRWLD-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide 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-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide (CID 114631559) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide is CC(C)(C)CS(=O)(=O)NC1CC(O)C1(C)C.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is CMZLAJHJMDRWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10(2,3)7-16(14,15)12-8-6-9(13)11(8,4)5/h8-9,12-13H,6-7H2,1-5H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 114631559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).