2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile

C11H14N2OS — CID 107781712

IUPAC2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
SMILESCc1occc1SCC(C#N)NC1CC1
InChIInChI=1S/C11H14N2OS/c1-8-11(4-5-14-8)15-7-10(6-12)13-9-2-3-9/h4-5,9-10,13H,2-3,7H2,1H3
InChIKeyANRPHTQHEGSDBX-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.32
Rot. Bonds5

About 2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile

2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile (PubChem CID 107781712) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
PubChem CID107781712
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
SMILESCc1occc1SCC(C#N)NC1CC1
InChIInChI=1S/C11H14N2OS/c1-8-11(4-5-14-8)15-7-10(6-12)13-9-2-3-9/h4-5,9-10,13H,2-3,7H2,1H3
InChIKeyANRPHTQHEGSDBX-UHFFFAOYSA-N
XLogP2.32
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile (CID 107781712) is 2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile is Cc1occc1SCC(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile?
The InChIKey is ANRPHTQHEGSDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-11(4-5-14-8)15-7-10(6-12)13-9-2-3-9/h4-5,9-10,13H,2-3,7H2,1H3.
What are the key properties of 2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile?
2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile has a molecular weight of 222.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile is sourced from PubChem (CID 107781712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).