2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine

C14H20ClNOS — CID 103290288

IUPAC2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCS(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H20ClNOS/c15-13-6-2-1-4-12(13)10-18(17)9-8-11-5-3-7-14(11)16/h1-2,4,6,11,14H,3,5,7-10,16H2
InChIKeyYJPKSHNJNXYKLV-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.11
Rot. Bonds5

About 2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine

2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine (PubChem CID 103290288) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
PubChem CID103290288
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCS(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H20ClNOS/c15-13-6-2-1-4-12(13)10-18(17)9-8-11-5-3-7-14(11)16/h1-2,4,6,11,14H,3,5,7-10,16H2
InChIKeyYJPKSHNJNXYKLV-UHFFFAOYSA-N
XLogP3.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
CID 79581971
2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine
CID 107307055
4-[(2-chlorophenyl)methylsulfinyl]butan-1-amine
CID 103291326
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine
CID 103290291
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone
CID 103291169
2-[2-(2-fluorophenyl)sulfinylethyl]cyclopentan-1-amine
CID 79581435
2-[3-[(2-chlorophenyl)methylsulfinyl]propoxy]aniline
CID 103289261
2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581118
3-[(2-chlorophenyl)methylsulfinylmethyl]-2-fluoroaniline
CID 107350497
2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine
CID 112652653
5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-carbaldehyde
CID 103291215
2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine
CID 103290362

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine (CID 103290288) is 2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine is NC1CCCC1CCS(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine?
The InChIKey is YJPKSHNJNXYKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c15-13-6-2-1-4-12(13)10-18(17)9-8-11-5-3-7-14(11)16/h1-2,4,6,11,14H,3,5,7-10,16H2.
What are the key properties of 2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine?
2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine has a molecular weight of 285.84 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 103290288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).