3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine

C14H19ClFNOS — CID 115477274

IUPAC3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(S(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C14H19ClFNOS/c1-2-7-17-10-3-4-11(8-10)19(18)12-5-6-14(16)13(15)9-12/h5-6,9-11,17H,2-4,7-8H2,1H3
InChIKeyVPFHADZHKNXPHA-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.51
Rot. Bonds5

About 3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine

3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine (PubChem CID 115477274) has the molecular formula C14H19ClFNOS and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine
PubChem CID115477274
Molecular FormulaC14H19ClFNOS
Molecular Weight303.83 g/mol
Exact Mass303.09
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(S(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C14H19ClFNOS/c1-2-7-17-10-3-4-11(8-10)19(18)12-5-6-14(16)13(15)9-12/h5-6,9-11,17H,2-4,7-8H2,1H3
InChIKeyVPFHADZHKNXPHA-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64723455
2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine
CID 115477286
3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
CID 115477312
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-propylcyclopentan-1-amine
CID 115479129
3-(4-nitrophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64722049
3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
CID 64724478
3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64717172
3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716942
N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine
CID 64722658
3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine
CID 114792146
3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine
CID 114281133
N-propyl-3-propylsulfinylcyclopentan-1-amine
CID 64722656

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine (CID 115477274) is 3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine is CCCNC1CCC(S(=O)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine?
The InChIKey is VPFHADZHKNXPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNOS/c1-2-7-17-10-3-4-11(8-10)19(18)12-5-6-14(16)13(15)9-12/h5-6,9-11,17H,2-4,7-8H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine?
3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 115477274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).