(1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine

C12H19NS — CID 95422491

IUPAC(1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(SC(C)C)cc1
InChIInChI=1S/C12H19NS/c1-4-12(13)10-5-7-11(8-6-10)14-9(2)3/h5-9,12H,4,13H2,1-3H3/t12-/m0/s1
InChIKeyZVJQEYWMKNWOBX-LBPRGKRZSA-N
MW209.36 g/mol
LogP3.60
Rot. Bonds4

About (1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine

(1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine (PubChem CID 95422491) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine
PubChem CID95422491
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(SC(C)C)cc1
InChIInChI=1S/C12H19NS/c1-4-12(13)10-5-7-11(8-6-10)14-9(2)3/h5-9,12H,4,13H2,1-3H3/t12-/m0/s1
InChIKeyZVJQEYWMKNWOBX-LBPRGKRZSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine?
The IUPAC name of (1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine (CID 95422491) is (1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine?
The canonical SMILES for (1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine is CC[C@H](N)c1ccc(SC(C)C)cc1.
What is the InChIKey of (1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine?
The InChIKey is ZVJQEYWMKNWOBX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-12(13)10-5-7-11(8-6-10)14-9(2)3/h5-9,12H,4,13H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine?
(1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 95422491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).