1-(4-cyclopropylsulfanylphenyl)propan-2-amine

C12H17NS — CID 117296861

IUPAC1-(4-cyclopropylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(SC2CC2)cc1
InChIInChI=1S/C12H17NS/c1-9(13)8-10-2-4-11(5-3-10)14-12-6-7-12/h2-5,9,12H,6-8,13H2,1H3
InChIKeyCTWWSMCFKSQVCI-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.83
Rot. Bonds4

About 1-(4-cyclopropylsulfanylphenyl)propan-2-amine

1-(4-cyclopropylsulfanylphenyl)propan-2-amine (PubChem CID 117296861) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-(4-cyclopropylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-cyclopropylsulfanylphenyl)propan-2-amine
PubChem CID117296861
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name1-(4-cyclopropylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(SC2CC2)cc1
InChIInChI=1S/C12H17NS/c1-9(13)8-10-2-4-11(5-3-10)14-12-6-7-12/h2-5,9,12H,6-8,13H2,1H3
InChIKeyCTWWSMCFKSQVCI-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylsulfanylphenyl)propan-2-amine?
The IUPAC name of 1-(4-cyclopropylsulfanylphenyl)propan-2-amine (CID 117296861) is 1-(4-cyclopropylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-cyclopropylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-cyclopropylsulfanylphenyl)propan-2-amine is CC(N)Cc1ccc(SC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropylsulfanylphenyl)propan-2-amine?
The InChIKey is CTWWSMCFKSQVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-9(13)8-10-2-4-11(5-3-10)14-12-6-7-12/h2-5,9,12H,6-8,13H2,1H3.
What are the key properties of 1-(4-cyclopropylsulfanylphenyl)propan-2-amine?
1-(4-cyclopropylsulfanylphenyl)propan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 117296861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).