2-cyclohexylsulfinyl-1-phenylpropan-1-amine

C15H23NOS — CID 64654149

IUPAC2-cyclohexylsulfinyl-1-phenylpropan-1-amine
SMILESCC(C(N)c1ccccc1)S(=O)C1CCCCC1
InChIInChI=1S/C15H23NOS/c1-12(15(16)13-8-4-2-5-9-13)18(17)14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15H,3,6-7,10-11,16H2,1H3
InChIKeyPWEZUVVWJMRLGT-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.16
Rot. Bonds4

About 2-cyclohexylsulfinyl-1-phenylpropan-1-amine

2-cyclohexylsulfinyl-1-phenylpropan-1-amine (PubChem CID 64654149) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-cyclohexylsulfinyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfinyl-1-phenylpropan-1-amine
PubChem CID64654149
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-cyclohexylsulfinyl-1-phenylpropan-1-amine
SMILESCC(C(N)c1ccccc1)S(=O)C1CCCCC1
InChIInChI=1S/C15H23NOS/c1-12(15(16)13-8-4-2-5-9-13)18(17)14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15H,3,6-7,10-11,16H2,1H3
InChIKeyPWEZUVVWJMRLGT-UHFFFAOYSA-N
XLogP3.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfinyl-1-phenylpropan-1-amine?
The IUPAC name of 2-cyclohexylsulfinyl-1-phenylpropan-1-amine (CID 64654149) is 2-cyclohexylsulfinyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfinyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-cyclohexylsulfinyl-1-phenylpropan-1-amine is CC(C(N)c1ccccc1)S(=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfinyl-1-phenylpropan-1-amine?
The InChIKey is PWEZUVVWJMRLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12(15(16)13-8-4-2-5-9-13)18(17)14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15H,3,6-7,10-11,16H2,1H3.
What are the key properties of 2-cyclohexylsulfinyl-1-phenylpropan-1-amine?
2-cyclohexylsulfinyl-1-phenylpropan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfinyl-1-phenylpropan-1-amine is sourced from PubChem (CID 64654149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).