2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine

C12H19NS — CID 118027242

IUPAC2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine
SMILESCC(C)c1ccccc1SC(C)(C)N
InChIInChI=1S/C12H19NS/c1-9(2)10-7-5-6-8-11(10)14-12(3,4)13/h5-9H,13H2,1-4H3
InChIKeyCFZIDIIOFWBYBZ-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.60
Rot. Bonds3

About 2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine

2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine (PubChem CID 118027242) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine
PubChem CID118027242
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine
SMILESCC(C)c1ccccc1SC(C)(C)N
InChIInChI=1S/C12H19NS/c1-9(2)10-7-5-6-8-11(10)14-12(3,4)13/h5-9H,13H2,1-4H3
InChIKeyCFZIDIIOFWBYBZ-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine (CID 118027242) is 2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine is CC(C)c1ccccc1SC(C)(C)N.
What is the InChIKey of 2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine?
The InChIKey is CFZIDIIOFWBYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-9(2)10-7-5-6-8-11(10)14-12(3,4)13/h5-9H,13H2,1-4H3.
What are the key properties of 2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine?
2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 118027242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).