2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine

C16H24ClNOS — CID 64753469

IUPAC2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1S(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClNOS/c1-4-18-15-9-11(2)8-12(3)16(15)20(19)14-7-5-6-13(17)10-14/h5-7,10-12,15-16,18H,4,8-9H2,1-3H3
InChIKeyLGNRGVYXKKITOY-UHFFFAOYSA-N
MW313.89 g/mol
LogP3.86
Rot. Bonds4

About 2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine

2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine (PubChem CID 64753469) has the molecular formula C16H24ClNOS and a molecular weight of 313.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
PubChem CID64753469
Molecular FormulaC16H24ClNOS
Molecular Weight313.89 g/mol
Exact Mass313.13
IUPAC Name2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1S(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClNOS/c1-4-18-15-9-11(2)8-12(3)16(15)20(19)14-7-5-6-13(17)10-14/h5-7,10-12,15-16,18H,4,8-9H2,1-3H3
InChIKeyLGNRGVYXKKITOY-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.89
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64659353
3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64904089
2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine
CID 64735541
3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64723455
2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734774
3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64658377
3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine
CID 64904088
2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64676411
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 55188048
2-(3-chloro-4-fluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine
CID 115477372
2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64660130
2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64657347

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine (CID 64753469) is 2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine is CCNC1CC(C)CC(C)C1S(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is LGNRGVYXKKITOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNOS/c1-4-18-15-9-11(2)8-12(3)16(15)20(19)14-7-5-6-13(17)10-14/h5-7,10-12,15-16,18H,4,8-9H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine?
2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 313.89 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64753469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).