1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine

C15H21F2NOS — CID 104754680

IUPAC1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine
SMILESCCNC(CS(=O)c1cc(F)ccc1F)C1CCCC1
InChIInChI=1S/C15H21F2NOS/c1-2-18-14(11-5-3-4-6-11)10-20(19)15-9-12(16)7-8-13(15)17/h7-9,11,14,18H,2-6,10H2,1H3
InChIKeyBRZIUFOXAJPGDK-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.24
Rot. Bonds6

About 1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine

1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine (PubChem CID 104754680) has the molecular formula C15H21F2NOS and a molecular weight of 301.40 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine
PubChem CID104754680
Molecular FormulaC15H21F2NOS
Molecular Weight301.40 g/mol
Exact Mass301.13
IUPAC Name1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine
SMILESCCNC(CS(=O)c1cc(F)ccc1F)C1CCCC1
InChIInChI=1S/C15H21F2NOS/c1-2-18-14(11-5-3-4-6-11)10-20(19)15-9-12(16)7-8-13(15)17/h7-9,11,14,18H,2-6,10H2,1H3
InChIKeyBRZIUFOXAJPGDK-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine
CID 104754679
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine
CID 64660071
2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine
CID 104754578
1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine
CID 64652274
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine
CID 104754647
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
1-(2,5-difluorophenyl)sulfinylpentan-2-amine
CID 64651062
1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114346516
3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
CID 114850824
2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
CID 64986283

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine?
The IUPAC name of 1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine (CID 104754680) is 1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine?
The canonical SMILES for 1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine is CCNC(CS(=O)c1cc(F)ccc1F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine?
The InChIKey is BRZIUFOXAJPGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NOS/c1-2-18-14(11-5-3-4-6-11)10-20(19)15-9-12(16)7-8-13(15)17/h7-9,11,14,18H,2-6,10H2,1H3.
What are the key properties of 1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine?
1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine has a molecular weight of 301.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine is sourced from PubChem (CID 104754680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).