2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide

C12H15FN2S — CID 79522067

IUPAC2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1SC1CCCC1
InChIInChI=1S/C12H15FN2S/c13-9-6-3-7-10(11(9)12(14)15)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,15)
InChIKeyDWAPKDUOAIGFPS-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.14
Rot. Bonds3

About 2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide

2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide (PubChem CID 79522067) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide
PubChem CID79522067
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC Name2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1SC1CCCC1
InChIInChI=1S/C12H15FN2S/c13-9-6-3-7-10(11(9)12(14)15)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,15)
InChIKeyDWAPKDUOAIGFPS-UHFFFAOYSA-N
XLogP3.14
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-(oxolan-2-ylmethylsulfanyl)benzenecarboximidamide
CID 106494556
2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522375
2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522536
2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide
CID 79523193
(1R)-1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine
CID 63370324
1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine
CID 60886597
2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide
CID 79015592
1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine
CID 63114882
2-fluoro-6-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 79522863
2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 79522698
2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 79519913
6-cyclohexylsulfanylpyridine-3-carboximidamide
CID 60887032

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide?
The IUPAC name of 2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide (CID 79522067) is 2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide?
The canonical SMILES for 2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1SC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide?
The InChIKey is DWAPKDUOAIGFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S/c13-9-6-3-7-10(11(9)12(14)15)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,15).
What are the key properties of 2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide?
2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide has a molecular weight of 238.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 79522067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).