N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide

C6H13NO3S — CID 66006111

IUPACN-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C6H13NO3S/c1-11(9,10)7-4-5-2-6(8)3-5/h5-8H,2-4H2,1H3
InChIKeyBFCQQVIGHSGEMW-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.69
Rot. Bonds3

About N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide

N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide (PubChem CID 66006111) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
PubChem CID66006111
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C6H13NO3S/c1-11(9,10)7-4-5-2-6(8)3-5/h5-8H,2-4H2,1H3
InChIKeyBFCQQVIGHSGEMW-UHFFFAOYSA-N
XLogP-0.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-hydroxycyclobutyl)methyl]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 N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide (CID 66006111) is N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide is CS(=O)(=O)NCC1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide?
The InChIKey is BFCQQVIGHSGEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-11(9,10)7-4-5-2-6(8)3-5/h5-8H,2-4H2,1H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide?
N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide has a molecular weight of 179.24 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide is sourced from PubChem (CID 66006111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).