(4-benzylsulfanylphenyl)methanamine

C14H15NS — CID 3043269

IUPAC(4-benzylsulfanylphenyl)methanamine
SMILESNCc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C14H15NS/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11,15H2
InChIKeyLSJLOSRQWIDAMT-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.44
Rot. Bonds4

About (4-benzylsulfanylphenyl)methanamine

(4-benzylsulfanylphenyl)methanamine (PubChem CID 3043269) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is (4-benzylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(4-benzylsulfanylphenyl)methanamine
PubChem CID3043269
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name(4-benzylsulfanylphenyl)methanamine
SMILESNCc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C14H15NS/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11,15H2
InChIKeyLSJLOSRQWIDAMT-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-benzylsulfanylphenyl)methanamine?
The IUPAC name of (4-benzylsulfanylphenyl)methanamine (CID 3043269) is (4-benzylsulfanylphenyl)methanamine.
What is the SMILES notation for (4-benzylsulfanylphenyl)methanamine?
The canonical SMILES for (4-benzylsulfanylphenyl)methanamine is NCc1ccc(SCc2ccccc2)cc1.
What is the InChIKey of (4-benzylsulfanylphenyl)methanamine?
The InChIKey is LSJLOSRQWIDAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11,15H2.
What are the key properties of (4-benzylsulfanylphenyl)methanamine?
(4-benzylsulfanylphenyl)methanamine has a molecular weight of 229.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylsulfanylphenyl)methanamine is sourced from PubChem (CID 3043269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).