2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile

C13H18N2OS — CID 63908434

IUPAC2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile
SMILESCCNC(C#N)(CSCc1ccco1)C1CC1
InChIInChI=1S/C13H18N2OS/c1-2-15-13(9-14,11-5-6-11)10-17-8-12-4-3-7-16-12/h3-4,7,11,15H,2,5-6,8,10H2,1H3
InChIKeyWMFNCIYRVJCCRH-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.79
Rot. Bonds7

About 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile

2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile (PubChem CID 63908434) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile
PubChem CID63908434
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile
SMILESCCNC(C#N)(CSCc1ccco1)C1CC1
InChIInChI=1S/C13H18N2OS/c1-2-15-13(9-14,11-5-6-11)10-17-8-12-4-3-7-16-12/h3-4,7,11,15H,2,5-6,8,10H2,1H3
InChIKeyWMFNCIYRVJCCRH-UHFFFAOYSA-N
XLogP2.79
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile
CID 63908229
3-benzylsulfanyl-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63905527
2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol
CID 64820378
2-cyclopropyl-2-(ethylamino)-3-[(3-methylphenyl)methylsulfanyl]propanenitrile
CID 63905591
2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide
CID 63918027
2-cyclopropyl-3-(2,5-dichlorophenyl)sulfanyl-2-(ethylamino)propanenitrile
CID 63907606
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile
CID 63913717
3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63907051
N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 56794182
N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine
CID 64612353
2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
CID 107781762

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile (CID 63908434) is 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile is CCNC(C#N)(CSCc1ccco1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile?
The InChIKey is WMFNCIYRVJCCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-2-15-13(9-14,11-5-6-11)10-17-8-12-4-3-7-16-12/h3-4,7,11,15H,2,5-6,8,10H2,1H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile?
2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile has a molecular weight of 250.37 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile is sourced from PubChem (CID 63908434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).