2-benzylsulfanylpropan-1-amine

C10H15NS — CID 14613836

IUPAC2-benzylsulfanylpropan-1-amine
SMILESCC(CN)SCc1ccccc1
InChIInChI=1S/C10H15NS/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKeyOXAHKDSMEQAHBZ-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.27
Rot. Bonds4

About 2-benzylsulfanylpropan-1-amine

2-benzylsulfanylpropan-1-amine (PubChem CID 14613836) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-benzylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-benzylsulfanylpropan-1-amine
PubChem CID14613836
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-benzylsulfanylpropan-1-amine
SMILESCC(CN)SCc1ccccc1
InChIInChI=1S/C10H15NS/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKeyOXAHKDSMEQAHBZ-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanylpropan-1-amine?
The IUPAC name of 2-benzylsulfanylpropan-1-amine (CID 14613836) is 2-benzylsulfanylpropan-1-amine.
What is the SMILES notation for 2-benzylsulfanylpropan-1-amine?
The canonical SMILES for 2-benzylsulfanylpropan-1-amine is CC(CN)SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanylpropan-1-amine?
The InChIKey is OXAHKDSMEQAHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3.
What are the key properties of 2-benzylsulfanylpropan-1-amine?
2-benzylsulfanylpropan-1-amine has a molecular weight of 181.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanylpropan-1-amine is sourced from PubChem (CID 14613836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).