N-[(3-aminocyclobutyl)methyl]methanesulfonamide

C6H14N2O2S — CID 66005835

IUPACN-[(3-aminocyclobutyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CC(N)C1
InChIInChI=1S/C6H14N2O2S/c1-11(9,10)8-4-5-2-6(7)3-5/h5-6,8H,2-4,7H2,1H3
InChIKeyWQMAYBJXDVPPMY-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.73
Rot. Bonds3

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

N-[(3-aminocyclobutyl)methyl]methanesulfonamide (PubChem CID 66005835) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]methanesulfonamide
PubChem CID66005835
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-[(3-aminocyclobutyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CC(N)C1
InChIInChI=1S/C6H14N2O2S/c1-11(9,10)8-4-5-2-6(7)3-5/h5-6,8H,2-4,7H2,1H3
InChIKeyWQMAYBJXDVPPMY-UHFFFAOYSA-N
XLogP-0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]methanesulfonamide (CID 66005835) is N-[(3-aminocyclobutyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]methanesulfonamide is CS(=O)(=O)NCC1CC(N)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]methanesulfonamide?
The InChIKey is WQMAYBJXDVPPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-11(9,10)8-4-5-2-6(7)3-5/h5-6,8H,2-4,7H2,1H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]methanesulfonamide?
N-[(3-aminocyclobutyl)methyl]methanesulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]methanesulfonamide is sourced from PubChem (CID 66005835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).