3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine

C14H20ClNOS — CID 64904089

IUPAC3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)c2cccc(Cl)c2)C1C
InChIInChI=1S/C14H20ClNOS/c1-3-16-13-7-8-14(10(13)2)18(17)12-6-4-5-11(15)9-12/h4-6,9-10,13-14,16H,3,7-8H2,1-2H3
InChIKeyUZXMYTKHMRHPPA-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.22
Rot. Bonds4

About 3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine

3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine (PubChem CID 64904089) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
PubChem CID64904089
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)c2cccc(Cl)c2)C1C
InChIInChI=1S/C14H20ClNOS/c1-3-16-13-7-8-14(10(13)2)18(17)12-6-4-5-11(15)9-12/h4-6,9-10,13-14,16H,3,7-8H2,1-2H3
InChIKeyUZXMYTKHMRHPPA-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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-2-methylcyclopentan-1-amine
CID 64904088
2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64753469
3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
CID 115477312
3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64905728
3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64658377
2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64657347
2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64660130
N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656639
2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64658970
3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64723455
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclopentan-1-amine
CID 64653023

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine (CID 64904089) is 3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine is CCNC1CCC(S(=O)c2cccc(Cl)c2)C1C.
What is the InChIKey of 3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is UZXMYTKHMRHPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-3-16-13-7-8-14(10(13)2)18(17)12-6-4-5-11(15)9-12/h4-6,9-10,13-14,16H,3,7-8H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine?
3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 285.84 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64904089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).