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

C14H20N2OS — CID 63908229

IUPAC2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CSCc1ccco1)C1CC1
InChIInChI=1S/C14H20N2OS/c1-2-7-16-14(10-15,12-5-6-12)11-18-9-13-4-3-8-17-13/h3-4,8,12,16H,2,5-7,9,11H2,1H3
InChIKeyYGGMOJZAOVPLPU-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.18
Rot. Bonds8

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

2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile (PubChem CID 63908229) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile
PubChem CID63908229
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CSCc1ccco1)C1CC1
InChIInChI=1S/C14H20N2OS/c1-2-7-16-14(10-15,12-5-6-12)11-18-9-13-4-3-8-17-13/h3-4,8,12,16H,2,5-7,9,11H2,1H3
InChIKeyYGGMOJZAOVPLPU-UHFFFAOYSA-N
XLogP3.18
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile
CID 63908434
2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol
CID 64820378
3-benzylsulfanyl-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63905527
3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63907051
2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 64610724
N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine
CID 64612353
2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile
CID 63906303
2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide
CID 63918027
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine
CID 60663449
2-cyclopropyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanenitrile
CID 63907621
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 56794182

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile (CID 63908229) is 2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile is CCCNC(C#N)(CSCc1ccco1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile?
The InChIKey is YGGMOJZAOVPLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-2-7-16-14(10-15,12-5-6-12)11-18-9-13-4-3-8-17-13/h3-4,8,12,16H,2,5-7,9,11H2,1H3.
What are the key properties of 2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile?
2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile has a molecular weight of 264.39 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile is sourced from PubChem (CID 63908229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).