3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine

C14H19Cl2NOS — CID 64716958

IUPAC3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C14H19Cl2NOS/c1-2-17-11-4-3-5-12(9-11)19(18)14-8-10(15)6-7-13(14)16/h6-8,11-12,17H,2-5,9H2,1H3
InChIKeyJMGFLIOZEUEXQJ-UHFFFAOYSA-N
MW320.29 g/mol
LogP4.02
Rot. Bonds4

About 3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine

3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine (PubChem CID 64716958) has the molecular formula C14H19Cl2NOS and a molecular weight of 320.29 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
PubChem CID64716958
Molecular FormulaC14H19Cl2NOS
Molecular Weight320.29 g/mol
Exact Mass319.06
IUPAC Name3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C14H19Cl2NOS/c1-2-17-11-4-3-5-12(9-11)19(18)14-8-10(15)6-7-13(14)16/h6-8,11-12,17H,2-5,9H2,1H3
InChIKeyJMGFLIOZEUEXQJ-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716942
2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64657347
3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64717560
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine
CID 64717359
3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine
CID 64659098
3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64717172
3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64716954
3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine
CID 114792146
3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 115477274
3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64723455
2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64659353
3-(2,5-dichlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64657339

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine (CID 64716958) is 3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine is CCNC1CCCC(S(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
The InChIKey is JMGFLIOZEUEXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NOS/c1-2-17-11-4-3-5-12(9-11)19(18)14-8-10(15)6-7-13(14)16/h6-8,11-12,17H,2-5,9H2,1H3.
What are the key properties of 3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine has a molecular weight of 320.29 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 64716958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).