N-(2-aminobutyl)methanesulfonamide

C₅H₁₄N₂O₂S — CID 63730971

About N-(2-aminobutyl)methanesulfonamide

N-(2-aminobutyl)methanesulfonamide (PubChem CID 63730971) has the molecular formula C₅H₁₄N₂O₂S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-(2-aminobutyl)methanesulfonamide.

Molecular Properties

• Compound Name: N-(2-aminobutyl)methanesulfonamide
• PubChem CID: 63730971
• Molecular Formula: C₅H₁₄N₂O₂S
• Molecular Weight: 166.25 g/mol
• Exact Mass: 166.08
• IUPAC Name: N-(2-aminobutyl)methanesulfonamide
• SMILES: CCC(N)CNS(C)(=O)=O
• InChI: InChI=1S/C5H14N2O2S/c1-3-5(6)4-7-10(2,8)9/h5,7H,3-4,6H2,1-2H3
• InChIKey: QCMJJNRVKGSGPW-UHFFFAOYSA-N
• XLogP: -0.73
• TPSA: 72.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.25
LogP ≤ 5	-0.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)methanesulfonamide?

The IUPAC name of N-(2-aminobutyl)methanesulfonamide (CID 63730971) is N-(2-aminobutyl)methanesulfonamide.

What is the SMILES notation for N-(2-aminobutyl)methanesulfonamide?

The canonical SMILES for N-(2-aminobutyl)methanesulfonamide is CCC(N)CNS(C)(=O)=O.

What is the InChIKey of N-(2-aminobutyl)methanesulfonamide?

The InChIKey is QCMJJNRVKGSGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-3-5(6)4-7-10(2,8)9/h5,7H,3-4,6H2,1-2H3.

What are the key properties of N-(2-aminobutyl)methanesulfonamide?

N-(2-aminobutyl)methanesulfonamide has a molecular weight of 166.25 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminobutyl)methanesulfonamide is sourced from PubChem (CID 63730971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63730971 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.