2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine

C16H23F2NOS — CID 79587610

IUPAC2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCS(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H23F2NOS/c1-2-9-19-15-5-3-4-12(15)8-10-21(20)16-11-13(17)6-7-14(16)18/h6-7,11-12,15,19H,2-5,8-10H2,1H3
InChIKeyQFQYRNXVPWUMNB-UHFFFAOYSA-N
MW315.43 g/mol
LogP3.63
Rot. Bonds7

About 2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine

2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine (PubChem CID 79587610) has the molecular formula C16H23F2NOS and a molecular weight of 315.43 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine
PubChem CID79587610
Molecular FormulaC16H23F2NOS
Molecular Weight315.43 g/mol
Exact Mass315.15
IUPAC Name2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCS(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H23F2NOS/c1-2-9-19-15-5-3-4-12(15)8-10-21(20)16-11-13(17)6-7-14(16)18/h6-7,11-12,15,19H,2-5,8-10H2,1H3
InChIKeyQFQYRNXVPWUMNB-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64652067
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
CID 64651180
2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine
CID 102981137
2-(2,5-difluorophenyl)-N-propylcyclopentan-1-amine
CID 62801737
2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine
CID 79588291
3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64717172
3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64905728
2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 114930724
2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587194
3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64653449
4-[(2,5-difluorophenyl)methyl]-N-propylthiolan-3-amine
CID 83195690

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine (CID 79587610) is 2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCS(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine?
The InChIKey is QFQYRNXVPWUMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NOS/c1-2-9-19-15-5-3-4-12(15)8-10-21(20)16-11-13(17)6-7-14(16)18/h6-7,11-12,15,19H,2-5,8-10H2,1H3.
What are the key properties of 2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine?
2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine has a molecular weight of 315.43 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79587610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).