2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine

C13H18ClNOS — CID 114792156

IUPAC2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1S(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNOS/c1-15-12-3-2-4-13(12)17(16)9-10-5-7-11(14)8-6-10/h5-8,12-13,15H,2-4,9H2,1H3
InChIKeyMAUXHIYPEBQVMU-UHFFFAOYSA-N
MW271.81 g/mol
LogP2.73
Rot. Bonds4

About 2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine

2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine (PubChem CID 114792156) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine
PubChem CID114792156
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1S(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNOS/c1-15-12-3-2-4-13(12)17(16)9-10-5-7-11(14)8-6-10/h5-8,12-13,15H,2-4,9H2,1H3
InChIKeyMAUXHIYPEBQVMU-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfinyl-N-methylcyclopentan-1-amine
CID 64658738
2-benzylsulfinyl-N-methylcyclooctan-1-amine
CID 64658739
3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine
CID 114792190
2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine
CID 114792023
5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 114792164
3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine
CID 114792146
2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64657965
N-methyl-2-propylsulfinylcyclohexan-1-amine
CID 64651955
2-[(4-chlorophenyl)methylsulfinyl]-4-propan-2-ylcyclohexan-1-amine
CID 114792237
2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
CID 64658093
N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64658404
2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64657347

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine (CID 114792156) is 2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine is CNC1CCCC1S(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine?
The InChIKey is MAUXHIYPEBQVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-15-12-3-2-4-13(12)17(16)9-10-5-7-11(14)8-6-10/h5-8,12-13,15H,2-4,9H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine?
2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 114792156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).