[2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine

C12H15ClFNOS — CID 115477506

IUPAC[2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine
SMILESNCC1CCCC1S(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNOS/c13-10-6-9(4-5-11(10)14)17(16)12-3-1-2-8(12)7-15/h4-6,8,12H,1-3,7,15H2
InChIKeyTWDIASVVYXLAFV-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.71
Rot. Bonds3

About [2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine

[2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine (PubChem CID 115477506) has the molecular formula C12H15ClFNOS and a molecular weight of 275.78 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine
PubChem CID115477506
Molecular FormulaC12H15ClFNOS
Molecular Weight275.78 g/mol
Exact Mass275.05
IUPAC Name[2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine
SMILESNCC1CCCC1S(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNOS/c13-10-6-9(4-5-11(10)14)17(16)12-3-1-2-8(12)7-15/h4-6,8,12H,1-3,7,15H2
InChIKeyTWDIASVVYXLAFV-UHFFFAOYSA-N
XLogP2.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine
CID 115477515
[2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine
CID 81333789
2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile
CID 115477472
[2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine
CID 81328026
[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine
CID 81334124
5-(3-chloro-4-fluorophenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
CID 115477293
2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one
CID 115477455
3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
CID 115477312
[2-(4-methylsulfonylphenyl)sulfinylcycloheptyl]methanamine
CID 81333740
2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine
CID 115477286
2-(3-chloro-4-fluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine
CID 115477372
2-chloro-1-fluoro-4-methylsulfinylbenzene
CID 130622435

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine (CID 115477506) is [2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine is NCC1CCCC1S(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine?
The InChIKey is TWDIASVVYXLAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNOS/c13-10-6-9(4-5-11(10)14)17(16)12-3-1-2-8(12)7-15/h4-6,8,12H,1-3,7,15H2.
What are the key properties of [2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine?
[2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine has a molecular weight of 275.78 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine is sourced from PubChem (CID 115477506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).