1-(4-methylsulfanylphenyl)propan-1-amine

C10H15NS — CID 44613813

IUPAC1-(4-methylsulfanylphenyl)propan-1-amine
SMILESCCC(N)c1ccc(SC)cc1
InChIInChI=1S/C10H15NS/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10H,3,11H2,1-2H3
InChIKeyXPXSFFZVSDWNTP-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.82
Rot. Bonds3

About 1-(4-methylsulfanylphenyl)propan-1-amine

1-(4-methylsulfanylphenyl)propan-1-amine (PubChem CID 44613813) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)propan-1-amine
PubChem CID44613813
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name1-(4-methylsulfanylphenyl)propan-1-amine
SMILESCCC(N)c1ccc(SC)cc1
InChIInChI=1S/C10H15NS/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10H,3,11H2,1-2H3
InChIKeyXPXSFFZVSDWNTP-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)propan-1-amine?
The IUPAC name of 1-(4-methylsulfanylphenyl)propan-1-amine (CID 44613813) is 1-(4-methylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)propan-1-amine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)propan-1-amine is CCC(N)c1ccc(SC)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)propan-1-amine?
The InChIKey is XPXSFFZVSDWNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10H,3,11H2,1-2H3.
What are the key properties of 1-(4-methylsulfanylphenyl)propan-1-amine?
1-(4-methylsulfanylphenyl)propan-1-amine has a molecular weight of 181.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 44613813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).