2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine

C13H18ClNOS — CID 64659353

IUPAC2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1S(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNOS/c1-2-15-12-7-4-8-13(12)17(16)11-6-3-5-10(14)9-11/h3,5-6,9,12-13,15H,2,4,7-8H2,1H3
InChIKeyXBILHYIERNFDRN-UHFFFAOYSA-N
MW271.81 g/mol
LogP2.98
Rot. Bonds4

About 2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine

2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine (PubChem CID 64659353) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
PubChem CID64659353
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1S(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNOS/c1-2-15-12-7-4-8-13(12)17(16)11-6-3-5-10(14)9-11/h3,5-6,9,12-13,15H,2,4,7-8H2,1H3
InChIKeyXBILHYIERNFDRN-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64904089
2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64657347
3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64658377
2-(3-chlorophenyl)sulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64753469
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclopentan-1-amine
CID 64653023
2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64660130
2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64659136
2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64652199
3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine
CID 64904088
N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656639
2-(3-chlorophenyl)sulfinylcycloheptane-1-carbonitrile
CID 64690847
2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64658970

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine (CID 64659353) is 2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine is CCNC1CCCC1S(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine?
The InChIKey is XBILHYIERNFDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-2-15-12-7-4-8-13(12)17(16)11-6-3-5-10(14)9-11/h3,5-6,9,12-13,15H,2,4,7-8H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine?
2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 2.98, 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-ethylcyclopentan-1-amine is sourced from PubChem (CID 64659353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).