(2S)-2-methylsulfanylpropan-1-amine

C4H11NS — CID 87579568

IUPAC(2S)-2-methylsulfanylpropan-1-amine
SMILESCS[C@@H](C)CN
InChIInChI=1S/C4H11NS/c1-4(3-5)6-2/h4H,3,5H2,1-2H3/t4-/m0/s1
InChIKeyPJHRMQPEENZCPK-BYPYZUCNSA-N
MW105.21 g/mol
LogP0.70
Rot. Bonds2

About (2S)-2-methylsulfanylpropan-1-amine

(2S)-2-methylsulfanylpropan-1-amine (PubChem CID 87579568) has the molecular formula C4H11NS and a molecular weight of 105.21 g/mol. Its IUPAC name is (2S)-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name(2S)-2-methylsulfanylpropan-1-amine
PubChem CID87579568
Molecular FormulaC4H11NS
Molecular Weight105.21 g/mol
Exact Mass105.06
IUPAC Name(2S)-2-methylsulfanylpropan-1-amine
SMILESCS[C@@H](C)CN
InChIInChI=1S/C4H11NS/c1-4(3-5)6-2/h4H,3,5H2,1-2H3/t4-/m0/s1
InChIKeyPJHRMQPEENZCPK-BYPYZUCNSA-N
XLogP0.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylsulfanylpropan-1-amine?
The IUPAC name of (2S)-2-methylsulfanylpropan-1-amine (CID 87579568) is (2S)-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for (2S)-2-methylsulfanylpropan-1-amine?
The canonical SMILES for (2S)-2-methylsulfanylpropan-1-amine is CS[C@@H](C)CN.
What is the InChIKey of (2S)-2-methylsulfanylpropan-1-amine?
The InChIKey is PJHRMQPEENZCPK-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H11NS/c1-4(3-5)6-2/h4H,3,5H2,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-2-methylsulfanylpropan-1-amine?
(2S)-2-methylsulfanylpropan-1-amine has a molecular weight of 105.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 87579568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).