N-(3-aminocyclobutyl)methanesulfonamide

C5H12N2O2S — CID 43597850

IUPACN-(3-aminocyclobutyl)methanesulfonamide
SMILESCS(=O)(=O)NC1CC(N)C1
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)7-5-2-4(6)3-5/h4-5,7H,2-3,6H2,1H3
InChIKeyPCNSOMQTRPPJJV-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.97
Rot. Bonds2

About N-(3-aminocyclobutyl)methanesulfonamide

N-(3-aminocyclobutyl)methanesulfonamide (PubChem CID 43597850) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)methanesulfonamide
PubChem CID43597850
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC NameN-(3-aminocyclobutyl)methanesulfonamide
SMILESCS(=O)(=O)NC1CC(N)C1
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)7-5-2-4(6)3-5/h4-5,7H,2-3,6H2,1H3
InChIKeyPCNSOMQTRPPJJV-UHFFFAOYSA-N
XLogP-0.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)methanesulfonamide?
The IUPAC name of N-(3-aminocyclobutyl)methanesulfonamide (CID 43597850) is N-(3-aminocyclobutyl)methanesulfonamide.
What is the SMILES notation for N-(3-aminocyclobutyl)methanesulfonamide?
The canonical SMILES for N-(3-aminocyclobutyl)methanesulfonamide is CS(=O)(=O)NC1CC(N)C1.
What is the InChIKey of N-(3-aminocyclobutyl)methanesulfonamide?
The InChIKey is PCNSOMQTRPPJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-10(8,9)7-5-2-4(6)3-5/h4-5,7H,2-3,6H2,1H3.
What are the key properties of N-(3-aminocyclobutyl)methanesulfonamide?
N-(3-aminocyclobutyl)methanesulfonamide has a molecular weight of 164.23 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)methanesulfonamide is sourced from PubChem (CID 43597850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).