2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile

C15H17FN2S — CID 63908036

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile
SMILESN#CC(CSc1ccccc1F)(NC1CC1)C1CC1
InChIInChI=1S/C15H17FN2S/c16-13-3-1-2-4-14(13)19-10-15(9-17,11-5-6-11)18-12-7-8-12/h1-4,11-12,18H,5-8,10H2
InChIKeyUJTAXUOVBVJCRG-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.34
Rot. Bonds6

About 2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile

2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile (PubChem CID 63908036) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile
PubChem CID63908036
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile
SMILESN#CC(CSc1ccccc1F)(NC1CC1)C1CC1
InChIInChI=1S/C15H17FN2S/c16-13-3-1-2-4-14(13)19-10-15(9-17,11-5-6-11)18-12-7-8-12/h1-4,11-12,18H,5-8,10H2
InChIKeyUJTAXUOVBVJCRG-UHFFFAOYSA-N
XLogP3.34
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 55024378
N-[2-(2-fluorophenyl)sulfanylethyl]-5-methylhexan-2-amine
CID 55026871
N-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine
CID 55092293
1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine
CID 55092492
2-(Cyclopropylamino)-4-(2-fluorophenyl)sulfanylbutanenitrile
CID 55143351
2-(Cyclopropylamino)-4-(3,4-difluorophenyl)sulfanylbutanenitrile
CID 55145078
N-[2-(4-fluorophenyl)sulfanylethyl]-5-methylhexan-2-amine
CID 60689785
N-[2-(2-fluorophenyl)sulfanylethyl]-3-methylbutan-2-amine
CID 60690353
N-[2-(4-fluorophenyl)sulfanylethyl]-3-methylbutan-2-amine
CID 60690354
1-cyclopropyl-N-[2-(2-fluorophenyl)sulfanylethyl]ethanamine
CID 60696310
1-cyclopropyl-N-[2-(4-fluorophenyl)sulfanylethyl]ethanamine
CID 60696327
N-(dicyclopropylmethyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 60713973

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile (CID 63908036) is 2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile is N#CC(CSc1ccccc1F)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile?
The InChIKey is UJTAXUOVBVJCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-13-3-1-2-4-14(13)19-10-15(9-17,11-5-6-11)18-12-7-8-12/h1-4,11-12,18H,5-8,10H2.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile has a molecular weight of 276.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile is sourced from PubChem (CID 63908036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).