4-methylsulfanylbutan-2-amine

C5H13NS — CID 22979404

IUPAC4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)N
InChIInChI=1S/C5H13NS/c1-5(6)3-4-7-2/h5H,3-4,6H2,1-2H3
InChIKeyFNVNAEIAPMSQRL-UHFFFAOYSA-N
MW119.23 g/mol
LogP1.09
Rot. Bonds3

About 4-methylsulfanylbutan-2-amine

4-methylsulfanylbutan-2-amine (PubChem CID 22979404) has the molecular formula C5H13NS and a molecular weight of 119.23 g/mol. Its IUPAC name is 4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Name4-methylsulfanylbutan-2-amine
PubChem CID22979404
Molecular FormulaC5H13NS
Molecular Weight119.23 g/mol
Exact Mass119.08
IUPAC Name4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)N
InChIInChI=1S/C5H13NS/c1-5(6)3-4-7-2/h5H,3-4,6H2,1-2H3
InChIKeyFNVNAEIAPMSQRL-UHFFFAOYSA-N
XLogP1.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylbutan-2-amine?
The IUPAC name of 4-methylsulfanylbutan-2-amine (CID 22979404) is 4-methylsulfanylbutan-2-amine.
What is the SMILES notation for 4-methylsulfanylbutan-2-amine?
The canonical SMILES for 4-methylsulfanylbutan-2-amine is CSCCC(C)N.
What is the InChIKey of 4-methylsulfanylbutan-2-amine?
The InChIKey is FNVNAEIAPMSQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS/c1-5(6)3-4-7-2/h5H,3-4,6H2,1-2H3.
What are the key properties of 4-methylsulfanylbutan-2-amine?
4-methylsulfanylbutan-2-amine has a molecular weight of 119.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 22979404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).