5-(2-methylphenyl)sulfanylpentan-2-amine

C12H19NS — CID 64649281

IUPAC5-(2-methylphenyl)sulfanylpentan-2-amine
SMILESCc1ccccc1SCCCC(C)N
InChIInChI=1S/C12H19NS/c1-10-6-3-4-8-12(10)14-9-5-7-11(2)13/h3-4,6,8,11H,5,7,9,13H2,1-2H3
InChIKeyHRJCSOYNNHBNPT-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.21
Rot. Bonds5

About 5-(2-methylphenyl)sulfanylpentan-2-amine

5-(2-methylphenyl)sulfanylpentan-2-amine (PubChem CID 64649281) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 5-(2-methylphenyl)sulfanylpentan-2-amine.

Molecular Properties

Compound Name5-(2-methylphenyl)sulfanylpentan-2-amine
PubChem CID64649281
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name5-(2-methylphenyl)sulfanylpentan-2-amine
SMILESCc1ccccc1SCCCC(C)N
InChIInChI=1S/C12H19NS/c1-10-6-3-4-8-12(10)14-9-5-7-11(2)13/h3-4,6,8,11H,5,7,9,13H2,1-2H3
InChIKeyHRJCSOYNNHBNPT-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)sulfanylpentan-2-amine?
The IUPAC name of 5-(2-methylphenyl)sulfanylpentan-2-amine (CID 64649281) is 5-(2-methylphenyl)sulfanylpentan-2-amine.
What is the SMILES notation for 5-(2-methylphenyl)sulfanylpentan-2-amine?
The canonical SMILES for 5-(2-methylphenyl)sulfanylpentan-2-amine is Cc1ccccc1SCCCC(C)N.
What is the InChIKey of 5-(2-methylphenyl)sulfanylpentan-2-amine?
The InChIKey is HRJCSOYNNHBNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-10-6-3-4-8-12(10)14-9-5-7-11(2)13/h3-4,6,8,11H,5,7,9,13H2,1-2H3.
What are the key properties of 5-(2-methylphenyl)sulfanylpentan-2-amine?
5-(2-methylphenyl)sulfanylpentan-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)sulfanylpentan-2-amine is sourced from PubChem (CID 64649281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).