4-methylsulfinylbutan-2-amine;hydrochloride

C5H14ClNOS — CID 54595490

IUPAC4-methylsulfinylbutan-2-amine;hydrochloride
SMILESCC(N)CCS(C)=O.Cl
InChIInChI=1S/C5H13NOS.ClH/c1-5(6)3-4-8(2)7;/h5H,3-4,6H2,1-2H3;1H
InChIKeySWWJILQNFPJGDR-UHFFFAOYSA-N
MW171.69 g/mol
LogP0.52
Rot. Bonds3

About 4-methylsulfinylbutan-2-amine;hydrochloride

4-methylsulfinylbutan-2-amine;hydrochloride (PubChem CID 54595490) has the molecular formula C5H14ClNOS and a molecular weight of 171.69 g/mol. Its IUPAC name is 4-methylsulfinylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name4-methylsulfinylbutan-2-amine;hydrochloride
PubChem CID54595490
Molecular FormulaC5H14ClNOS
Molecular Weight171.69 g/mol
Exact Mass171.05
IUPAC Name4-methylsulfinylbutan-2-amine;hydrochloride
SMILESCC(N)CCS(C)=O.Cl
InChIInChI=1S/C5H13NOS.ClH/c1-5(6)3-4-8(2)7;/h5H,3-4,6H2,1-2H3;1H
InChIKeySWWJILQNFPJGDR-UHFFFAOYSA-N
XLogP0.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.69
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinylbutan-2-amine;hydrochloride?
The IUPAC name of 4-methylsulfinylbutan-2-amine;hydrochloride (CID 54595490) is 4-methylsulfinylbutan-2-amine;hydrochloride.
What is the SMILES notation for 4-methylsulfinylbutan-2-amine;hydrochloride?
The canonical SMILES for 4-methylsulfinylbutan-2-amine;hydrochloride is CC(N)CCS(C)=O.Cl.
What is the InChIKey of 4-methylsulfinylbutan-2-amine;hydrochloride?
The InChIKey is SWWJILQNFPJGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS.ClH/c1-5(6)3-4-8(2)7;/h5H,3-4,6H2,1-2H3;1H.
What are the key properties of 4-methylsulfinylbutan-2-amine;hydrochloride?
4-methylsulfinylbutan-2-amine;hydrochloride has a molecular weight of 171.69 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinylbutan-2-amine;hydrochloride is sourced from PubChem (CID 54595490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).