2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile

C11H14N2OS — CID 107781761

IUPAC2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
SMILESCc1occc1SCC(N)(C#N)C1CC1
InChIInChI=1S/C11H14N2OS/c1-8-10(4-5-14-8)15-7-11(13,6-12)9-2-3-9/h4-5,9H,2-3,7,13H2,1H3
InChIKeyFWMFPKVPTHYNIA-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.31
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile

2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile (PubChem CID 107781761) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
PubChem CID107781761
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
SMILESCc1occc1SCC(N)(C#N)C1CC1
InChIInChI=1S/C11H14N2OS/c1-8-10(4-5-14-8)15-7-11(13,6-12)9-2-3-9/h4-5,9H,2-3,7,13H2,1H3
InChIKeyFWMFPKVPTHYNIA-UHFFFAOYSA-N
XLogP2.31
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile (CID 107781761) is 2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile is Cc1occc1SCC(N)(C#N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile?
The InChIKey is FWMFPKVPTHYNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-10(4-5-14-8)15-7-11(13,6-12)9-2-3-9/h4-5,9H,2-3,7,13H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile?
2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile has a molecular weight of 222.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile is sourced from PubChem (CID 107781761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).