2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine

C13H17Cl2NOS — CID 64657347

IUPAC2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1S(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NOS/c1-2-16-11-4-3-5-12(11)18(17)13-8-9(14)6-7-10(13)15/h6-8,11-12,16H,2-5H2,1H3
InChIKeyXFOLXFNAAARGTP-UHFFFAOYSA-N
MW306.26 g/mol
LogP3.63
Rot. Bonds4

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

2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine (PubChem CID 64657347) has the molecular formula C13H17Cl2NOS and a molecular weight of 306.26 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
PubChem CID64657347
Molecular FormulaC13H17Cl2NOS
Molecular Weight306.26 g/mol
Exact Mass305.04
IUPAC Name2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1S(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NOS/c1-2-16-11-4-3-5-12(11)18(17)13-8-9(14)6-7-10(13)15/h6-8,11-12,16H,2-5H2,1H3
InChIKeyXFOLXFNAAARGTP-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine
CID 64659098
2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64659353
3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716958
3-(2,5-dichlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64657339
2-(2,5-dimethylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64658501
2-[(2,5-dichlorophenyl)methyl]-N-ethylcyclopentan-1-amine
CID 65318436
2-(2,5-dichlorophenyl)sulfinylcyclohexane-1-carbonitrile
CID 64690873
2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64652199
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclopentan-1-amine
CID 64653023
3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64904089
N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64656783
3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64905728

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine (CID 64657347) is 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine is CCNC1CCCC1S(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine?
The InChIKey is XFOLXFNAAARGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NOS/c1-2-16-11-4-3-5-12(11)18(17)13-8-9(14)6-7-10(13)15/h6-8,11-12,16H,2-5H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine?
2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine has a molecular weight of 306.26 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 64657347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).