3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine

C15H23NOS — CID 64717155

IUPAC3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine
SMILESCC(C)c1ccc(S(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C15H23NOS/c1-11(2)12-6-8-14(9-7-12)18(17)15-5-3-4-13(16)10-15/h6-9,11,13,15H,3-5,10,16H2,1-2H3
InChIKeyYEJFIPXDRSMRTM-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.19
Rot. Bonds3

About 3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine

3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine (PubChem CID 64717155) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine
PubChem CID64717155
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine
SMILESCC(C)c1ccc(S(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C15H23NOS/c1-11(2)12-6-8-14(9-7-12)18(17)15-5-3-4-13(16)10-15/h6-9,11,13,15H,3-5,10,16H2,1-2H3
InChIKeyYEJFIPXDRSMRTM-UHFFFAOYSA-N
XLogP3.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine?
The IUPAC name of 3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine (CID 64717155) is 3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine?
The canonical SMILES for 3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine is CC(C)c1ccc(S(=O)C2CCCC(N)C2)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine?
The InChIKey is YEJFIPXDRSMRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(2)12-6-8-14(9-7-12)18(17)15-5-3-4-13(16)10-15/h6-9,11,13,15H,3-5,10,16H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine?
3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine is sourced from PubChem (CID 64717155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).