2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile

C15H20N2S — CID 63908530

IUPAC2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CSc1cc(C)ccc1C)C1CC1
InChIInChI=1S/C15H20N2S/c1-11-4-5-12(2)14(8-11)18-10-15(9-16,17-3)13-6-7-13/h4-5,8,13,17H,6-7,10H2,1-3H3
InChIKeyQEHMKORWXAWFTA-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.29
Rot. Bonds5

About 2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile

2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile (PubChem CID 63908530) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile
PubChem CID63908530
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CSc1cc(C)ccc1C)C1CC1
InChIInChI=1S/C15H20N2S/c1-11-4-5-12(2)14(8-11)18-10-15(9-16,17-3)13-6-7-13/h4-5,8,13,17H,6-7,10H2,1-3H3
InChIKeyQEHMKORWXAWFTA-UHFFFAOYSA-N
XLogP3.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
CID 107781762
2-cyclopropyl-3-(2,5-difluorophenyl)sulfanyl-2-(propylamino)propanenitrile
CID 63905556
2-cyclopropyl-2-(methylamino)-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanenitrile
CID 63908641
2-cyclopropyl-2-(methylamino)-3-(4-methylsulfonylphenyl)sulfanylpropanenitrile
CID 63907058
2-cyclopropyl-3-(2,5-dichlorophenyl)sulfanyl-2-(ethylamino)propanenitrile
CID 63907606
2-(2,5-dimethylphenyl)sulfanylacetonitrile
CID 3277206
2-(cyclopropylamino)-5-(2,5-dimethylphenyl)sulfanyl-2-ethylpentanenitrile
CID 106805224
2-cyclopropyl-2-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropanenitrile
CID 63908036
2-cyclopropyl-2-(methylamino)-3-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile
CID 63905609
2-cyclopropyl-2-(cyclopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanenitrile
CID 102925670
2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile
CID 63906504
4-(2,5-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)butanenitrile
CID 55142966

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile (CID 63908530) is 2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile is CNC(C#N)(CSc1cc(C)ccc1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile?
The InChIKey is QEHMKORWXAWFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-4-5-12(2)14(8-11)18-10-15(9-16,17-3)13-6-7-13/h4-5,8,13,17H,6-7,10H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile?
2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile has a molecular weight of 260.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,5-dimethylphenyl)sulfanyl-2-(methylamino)propanenitrile is sourced from PubChem (CID 63908530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).