3-methylsulfinylpropan-1-amine;hydrochloride

C4H12ClNOS — CID 88921732

IUPAC3-methylsulfinylpropan-1-amine;hydrochloride
SMILESCS(=O)CCCN.Cl
InChIInChI=1S/C4H11NOS.ClH/c1-7(6)4-2-3-5;/h2-5H2,1H3;1H
InChIKeyXQESLKOBZABSLN-UHFFFAOYSA-N
MW157.67 g/mol
LogP0.14
Rot. Bonds3

About 3-methylsulfinylpropan-1-amine;hydrochloride

3-methylsulfinylpropan-1-amine;hydrochloride (PubChem CID 88921732) has the molecular formula C4H12ClNOS and a molecular weight of 157.67 g/mol. Its IUPAC name is 3-methylsulfinylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methylsulfinylpropan-1-amine;hydrochloride
PubChem CID88921732
Molecular FormulaC4H12ClNOS
Molecular Weight157.67 g/mol
Exact Mass157.03
IUPAC Name3-methylsulfinylpropan-1-amine;hydrochloride
SMILESCS(=O)CCCN.Cl
InChIInChI=1S/C4H11NOS.ClH/c1-7(6)4-2-3-5;/h2-5H2,1H3;1H
InChIKeyXQESLKOBZABSLN-UHFFFAOYSA-N
XLogP0.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.67
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinylpropan-1-amine;hydrochloride?
The IUPAC name of 3-methylsulfinylpropan-1-amine;hydrochloride (CID 88921732) is 3-methylsulfinylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-methylsulfinylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-methylsulfinylpropan-1-amine;hydrochloride is CS(=O)CCCN.Cl.
What is the InChIKey of 3-methylsulfinylpropan-1-amine;hydrochloride?
The InChIKey is XQESLKOBZABSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS.ClH/c1-7(6)4-2-3-5;/h2-5H2,1H3;1H.
What are the key properties of 3-methylsulfinylpropan-1-amine;hydrochloride?
3-methylsulfinylpropan-1-amine;hydrochloride has a molecular weight of 157.67 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinylpropan-1-amine;hydrochloride is sourced from PubChem (CID 88921732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).