N'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide

C11H13FN2S — CID 66070262

IUPACN'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide
SMILESN/C(CSc1cccc(F)c1)=N\C1CC1
InChIInChI=1S/C11H13FN2S/c12-8-2-1-3-10(6-8)15-7-11(13)14-9-4-5-9/h1-3,6,9H,4-5,7H2,(H2,13,14)
InChIKeyGHUZUXJULLQKEP-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.44
Rot. Bonds4

About N'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide

N'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide (PubChem CID 66070262) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is N'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide.

Molecular Properties

Compound NameN'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide
PubChem CID66070262
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC NameN'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide
SMILESN/C(CSc1cccc(F)c1)=N\C1CC1
InChIInChI=1S/C11H13FN2S/c12-8-2-1-3-10(6-8)15-7-11(13)14-9-4-5-9/h1-3,6,9H,4-5,7H2,(H2,13,14)
InChIKeyGHUZUXJULLQKEP-UHFFFAOYSA-N
XLogP2.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
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-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone
CID 66071426
1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine
CID 82932599
1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
CID 91656520
3-(3-fluorophenyl)sulfanylpropan-1-amine
CID 70244905
1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 66070184
1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine
CID 84781889
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 66416842
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
2-(3-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethanone
CID 66070805
2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine
CID 62379412
2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79909417
1-fluoro-3-prop-2-enylsulfanylbenzene
CID 91656198

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide?
The IUPAC name of N'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide (CID 66070262) is N'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide.
What is the SMILES notation for N'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide?
The canonical SMILES for N'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide is N/C(CSc1cccc(F)c1)=N\C1CC1.
What is the InChIKey of N'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide?
The InChIKey is GHUZUXJULLQKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S/c12-8-2-1-3-10(6-8)15-7-11(13)14-9-4-5-9/h1-3,6,9H,4-5,7H2,(H2,13,14).
What are the key properties of N'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide?
N'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide has a molecular weight of 224.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide is sourced from PubChem (CID 66070262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).