3-amino-N-methylpropane-1-sulfonamide;hydrochloride

C4H13ClN2O2S — CID 86628390

IUPAC3-amino-N-methylpropane-1-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)CCCN.Cl
InChIInChI=1S/C4H12N2O2S.ClH/c1-6-9(7,8)4-2-3-5;/h6H,2-5H2,1H3;1H
InChIKeyFLSCGQRNDXXPRH-UHFFFAOYSA-N
MW188.68 g/mol
LogP-0.69
Rot. Bonds4

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

3-amino-N-methylpropane-1-sulfonamide;hydrochloride (PubChem CID 86628390) has the molecular formula C4H13ClN2O2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 3-amino-N-methylpropane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methylpropane-1-sulfonamide;hydrochloride
PubChem CID86628390
Molecular FormulaC4H13ClN2O2S
Molecular Weight188.68 g/mol
Exact Mass188.04
IUPAC Name3-amino-N-methylpropane-1-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)CCCN.Cl
InChIInChI=1S/C4H12N2O2S.ClH/c1-6-9(7,8)4-2-3-5;/h6H,2-5H2,1H3;1H
InChIKeyFLSCGQRNDXXPRH-UHFFFAOYSA-N
XLogP-0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 5-0.69
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;hydrochloride?
The IUPAC name of 3-amino-N-methylpropane-1-sulfonamide;hydrochloride (CID 86628390) is 3-amino-N-methylpropane-1-sulfonamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methylpropane-1-sulfonamide;hydrochloride?
The canonical SMILES for 3-amino-N-methylpropane-1-sulfonamide;hydrochloride is CNS(=O)(=O)CCCN.Cl.
What is the InChIKey of 3-amino-N-methylpropane-1-sulfonamide;hydrochloride?
The InChIKey is FLSCGQRNDXXPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S.ClH/c1-6-9(7,8)4-2-3-5;/h6H,2-5H2,1H3;1H.
What are the key properties of 3-amino-N-methylpropane-1-sulfonamide;hydrochloride?
3-amino-N-methylpropane-1-sulfonamide;hydrochloride has a molecular weight of 188.68 g/mol, XLogP of -0.69, 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;hydrochloride is sourced from PubChem (CID 86628390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).