3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine

C14H20ClNOS — CID 64716942

IUPAC3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNOS/c1-2-16-12-4-3-5-14(10-12)18(17)13-8-6-11(15)7-9-13/h6-9,12,14,16H,2-5,10H2,1H3
InChIKeyOSZOELJOSNEZGC-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.37
Rot. Bonds4

About 3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine

3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine (PubChem CID 64716942) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
PubChem CID64716942
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNOS/c1-2-16-12-4-3-5-14(10-12)18(17)13-8-6-11(15)7-9-13/h6-9,12,14,16H,2-5,10H2,1H3
InChIKeyOSZOELJOSNEZGC-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine (CID 64716942) is 3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine is CCNC1CCCC(S(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
The InChIKey is OSZOELJOSNEZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-2-16-12-4-3-5-14(10-12)18(17)13-8-6-11(15)7-9-13/h6-9,12,14,16H,2-5,10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine has a molecular weight of 285.84 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 64716942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).