3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine

C15H22FNS — CID 64906351

IUPAC3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Sc2ccc(F)cc2)C1C
InChIInChI=1S/C15H22FNS/c1-3-10-17-14-8-9-15(11(14)2)18-13-6-4-12(16)5-7-13/h4-7,11,14-15,17H,3,8-10H2,1-2H3
InChIKeyXRRBXBZYIPGTGY-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.08
Rot. Bonds5

About 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine

3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 64906351) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
PubChem CID64906351
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC Name3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Sc2ccc(F)cc2)C1C
InChIInChI=1S/C15H22FNS/c1-3-10-17-14-8-9-15(11(14)2)18-13-6-4-12(16)5-7-13/h4-7,11,14-15,17H,3,8-10H2,1-2H3
InChIKeyXRRBXBZYIPGTGY-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide
CID 64905120
3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
CID 64906963
3-(4-fluorophenyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64909010
2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine
CID 64906327
2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
CID 64620731
N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine
CID 64620707
1-(4-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79396906
2-phenylsulfanyl-N-propylcyclopentan-1-amine
CID 22486376
4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621345
3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64910087
2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
CID 64621896
2-(2,4-difluorophenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64613082

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine (CID 64906351) is 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(Sc2ccc(F)cc2)C1C.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is XRRBXBZYIPGTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-3-10-17-14-8-9-15(11(14)2)18-13-6-4-12(16)5-7-13/h4-7,11,14-15,17H,3,8-10H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine?
3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64906351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).