1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile

C14H17FN2S — CID 79578023

IUPAC1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCSc1ccccc1F
InChIInChI=1S/C14H17FN2S/c15-12-5-1-2-6-13(12)18-9-7-11-4-3-8-14(11,17)10-16/h1-2,5-6,11H,3-4,7-9,17H2
InChIKeyKROFAWMGLUNSDZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.33
Rot. Bonds4

About 1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile (PubChem CID 79578023) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
PubChem CID79578023
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCSc1ccccc1F
InChIInChI=1S/C14H17FN2S/c15-12-5-1-2-6-13(12)18-9-7-11-4-3-8-14(11,17)10-16/h1-2,5-6,11H,3-4,7-9,17H2
InChIKeyKROFAWMGLUNSDZ-UHFFFAOYSA-N
XLogP3.33
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile (CID 79578023) is 1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile is N#CC1(N)CCCC1CCSc1ccccc1F.
What is the InChIKey of 1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile?
The InChIKey is KROFAWMGLUNSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c15-12-5-1-2-6-13(12)18-9-7-11-4-3-8-14(11,17)10-16/h1-2,5-6,11H,3-4,7-9,17H2.
What are the key properties of 1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile has a molecular weight of 264.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79578023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).