(2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine

C10H22N2S — CID 22689696

IUPAC(2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine
SMILESCSCC[C@H](N)CN1CCCCC1
InChIInChI=1S/C10H22N2S/c1-13-8-5-10(11)9-12-6-3-2-4-7-12/h10H,2-9,11H2,1H3/t10-/m0/s1
InChIKeyNBUHLSCIHHRHFA-JTQLQIEISA-N
MW202.37 g/mol
LogP1.55
Rot. Bonds5

About (2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine

(2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine (PubChem CID 22689696) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is (2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine
PubChem CID22689696
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name(2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine
SMILESCSCC[C@H](N)CN1CCCCC1
InChIInChI=1S/C10H22N2S/c1-13-8-5-10(11)9-12-6-3-2-4-7-12/h10H,2-9,11H2,1H3/t10-/m0/s1
InChIKeyNBUHLSCIHHRHFA-JTQLQIEISA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine?
The IUPAC name of (2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine (CID 22689696) is (2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine.
What is the SMILES notation for (2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine?
The canonical SMILES for (2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine is CSCC[C@H](N)CN1CCCCC1.
What is the InChIKey of (2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine?
The InChIKey is NBUHLSCIHHRHFA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22N2S/c1-13-8-5-10(11)9-12-6-3-2-4-7-12/h10H,2-9,11H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine?
(2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine has a molecular weight of 202.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methylsulfanyl-1-piperidin-1-ylbutan-2-amine is sourced from PubChem (CID 22689696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).