1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide

C7H14BrNO3S — CID 114631689

IUPAC1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)CBr
InChIInChI=1S/C7H14BrNO3S/c1-7(2)5(3-6(7)10)9-13(11,12)4-8/h5-6,9-10H,3-4H2,1-2H3
InChIKeyNDGUHRQWMUKVDK-UHFFFAOYSA-N
MW272.16 g/mol
LogP0.42
Rot. Bonds3

About 1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide

1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide (PubChem CID 114631689) has the molecular formula C7H14BrNO3S and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
PubChem CID114631689
Molecular FormulaC7H14BrNO3S
Molecular Weight272.16 g/mol
Exact Mass270.99
IUPAC Name1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)CBr
InChIInChI=1S/C7H14BrNO3S/c1-7(2)5(3-6(7)10)9-13(11,12)4-8/h5-6,9-10H,3-4H2,1-2H3
InChIKeyNDGUHRQWMUKVDK-UHFFFAOYSA-N
XLogP0.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631552
1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631576
1-bromo-N-(3-hydroxy-4,4-dimethylpentyl)methanesulfonamide
CID 90523471
1-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 104099258
1-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide
CID 104099262
1-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 104099383
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide
CID 104953052
N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide
CID 114631479
N-(3-hydroxy-2,2-dimethylcyclobutyl)butane-1-sulfonamide
CID 114631480
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpropane-1-sulfonamide
CID 114631501
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutane-1-sulfonamide
CID 114631529
N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-2-sulfonamide
CID 114631535

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide (CID 114631689) is 1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide is CC1(C)C(O)CC1NS(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The InChIKey is NDGUHRQWMUKVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO3S/c1-7(2)5(3-6(7)10)9-13(11,12)4-8/h5-6,9-10H,3-4H2,1-2H3.
What are the key properties of 1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide has a molecular weight of 272.16 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide is sourced from PubChem (CID 114631689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).