2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide

C9H15F3N2S — CID 103371449

IUPAC2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CSC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2S/c10-9(11,12)7(8(13)14)5-15-6-3-1-2-4-6/h6-7H,1-5H2,(H3,13,14)
InChIKeyJWORAJGBJOUJKA-UHFFFAOYSA-N
MW240.29 g/mol
LogP2.78
Rot. Bonds4

About 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide

2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide (PubChem CID 103371449) has the molecular formula C9H15F3N2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide
PubChem CID103371449
Molecular FormulaC9H15F3N2S
Molecular Weight240.29 g/mol
Exact Mass240.09
IUPAC Name2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CSC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2S/c10-9(11,12)7(8(13)14)5-15-6-3-1-2-4-6/h6-7H,1-5H2,(H3,13,14)
InChIKeyJWORAJGBJOUJKA-UHFFFAOYSA-N
XLogP2.78
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 52.78
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-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide
CID 103371425
3,3,3-trifluoro-2-(2-hydroxyethylsulfanylmethyl)propanimidamide
CID 103371422
3,3,3-trifluoro-2-(2-methylpropylsulfanylmethyl)propanimidamide
CID 103371411
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370793
2-[(2-ethylcyclohexyl)oxymethyl]-3,3,3-trifluoropropanimidamide
CID 103370926
2-cyclopentylsulfanylethanimidamide
CID 63114985
3,3,3-trifluoro-2-(phenylsulfanylmethyl)propanimidamide
CID 103371378
3,3,3-trifluoro-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide
CID 103370849
3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide
CID 103370642
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,3,3-trifluoropropanimidamide
CID 103371445
2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370781
2-methyl-3-(oxan-4-ylsulfanyl)propanimidamide
CID 62996983

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide (CID 103371449) is 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CSC1CCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide?
The InChIKey is JWORAJGBJOUJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2S/c10-9(11,12)7(8(13)14)5-15-6-3-1-2-4-6/h6-7H,1-5H2,(H3,13,14).
What are the key properties of 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide?
2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide has a molecular weight of 240.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103371449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).