3-amino-N-methylpropane-1-sulfonamide

C4H12N2O2S — CID 58684975

IUPAC3-amino-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN
InChIInChI=1S/C4H12N2O2S/c1-6-9(7,8)4-2-3-5/h6H,2-5H2,1H3
InChIKeyOXIUGKFUBWICRY-UHFFFAOYSA-N
MW152.22 g/mol
LogP-1.12
Rot. Bonds4

About 3-amino-N-methylpropane-1-sulfonamide

3-amino-N-methylpropane-1-sulfonamide (PubChem CID 58684975) has the molecular formula C4H12N2O2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 3-amino-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-methylpropane-1-sulfonamide
PubChem CID58684975
Molecular FormulaC4H12N2O2S
Molecular Weight152.22 g/mol
Exact Mass152.06
IUPAC Name3-amino-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN
InChIInChI=1S/C4H12N2O2S/c1-6-9(7,8)4-2-3-5/h6H,2-5H2,1H3
InChIKeyOXIUGKFUBWICRY-UHFFFAOYSA-N
XLogP-1.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-amino-N-methylpropane-1-sulfonamide (CID 58684975) is 3-amino-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-amino-N-methylpropane-1-sulfonamide is CNS(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-methylpropane-1-sulfonamide?
The InChIKey is OXIUGKFUBWICRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S/c1-6-9(7,8)4-2-3-5/h6H,2-5H2,1H3.
What are the key properties of 3-amino-N-methylpropane-1-sulfonamide?
3-amino-N-methylpropane-1-sulfonamide has a molecular weight of 152.22 g/mol, XLogP of -1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 58684975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).