2-benzylsulfanyl-N-cyclohexylaniline

C19H23NS — CID 67941937

IUPAC2-benzylsulfanyl-N-cyclohexylaniline
SMILESc1ccc(CSc2ccccc2NC2CCCCC2)cc1
InChIInChI=1S/C19H23NS/c1-3-9-16(10-4-1)15-21-19-14-8-7-13-18(19)20-17-11-5-2-6-12-17/h1,3-4,7-10,13-14,17,20H,2,5-6,11-12,15H2
InChIKeyCUFOUSLPORJFKK-UHFFFAOYSA-N
MW297.47 g/mol
LogP5.72
Rot. Bonds5

About 2-benzylsulfanyl-N-cyclohexylaniline

2-benzylsulfanyl-N-cyclohexylaniline (PubChem CID 67941937) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-cyclohexylaniline.

Molecular Properties

Compound Name2-benzylsulfanyl-N-cyclohexylaniline
PubChem CID67941937
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name2-benzylsulfanyl-N-cyclohexylaniline
SMILESc1ccc(CSc2ccccc2NC2CCCCC2)cc1
InChIInChI=1S/C19H23NS/c1-3-9-16(10-4-1)15-21-19-14-8-7-13-18(19)20-17-11-5-2-6-12-17/h1,3-4,7-10,13-14,17,20H,2,5-6,11-12,15H2
InChIKeyCUFOUSLPORJFKK-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.47
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-cyclohexylaniline?
The IUPAC name of 2-benzylsulfanyl-N-cyclohexylaniline (CID 67941937) is 2-benzylsulfanyl-N-cyclohexylaniline.
What is the SMILES notation for 2-benzylsulfanyl-N-cyclohexylaniline?
The canonical SMILES for 2-benzylsulfanyl-N-cyclohexylaniline is c1ccc(CSc2ccccc2NC2CCCCC2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-cyclohexylaniline?
The InChIKey is CUFOUSLPORJFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-3-9-16(10-4-1)15-21-19-14-8-7-13-18(19)20-17-11-5-2-6-12-17/h1,3-4,7-10,13-14,17,20H,2,5-6,11-12,15H2.
What are the key properties of 2-benzylsulfanyl-N-cyclohexylaniline?
2-benzylsulfanyl-N-cyclohexylaniline has a molecular weight of 297.47 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-cyclohexylaniline is sourced from PubChem (CID 67941937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).