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

C12H16N2OS — CID 107781741

IUPAC2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
SMILESCc1occc1SCC(C)(C#N)NC1CC1
InChIInChI=1S/C12H16N2OS/c1-9-11(5-6-15-9)16-8-12(2,7-13)14-10-3-4-10/h5-6,10,14H,3-4,8H2,1-2H3
InChIKeyKLEWIYVHUKAAMD-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.71
Rot. Bonds5

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

2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile (PubChem CID 107781741) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
PubChem CID107781741
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
SMILESCc1occc1SCC(C)(C#N)NC1CC1
InChIInChI=1S/C12H16N2OS/c1-9-11(5-6-15-9)16-8-12(2,7-13)14-10-3-4-10/h5-6,10,14H,3-4,8H2,1-2H3
InChIKeyKLEWIYVHUKAAMD-UHFFFAOYSA-N
XLogP2.71
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylamino)-2-methyl-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

Related Compounds

N-cyclopropyl-2-(furan-2-ylmethylsulfanyl)acetamide
CID 2381153
N-(2-cyanoethyl)-N-ethyl-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 86799184
2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide
CID 86799330
N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide
CID 86816617
2,2,2-trifluoro-N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide
CID 86799280
4,4,4-Trifluoro-3-(2-methylfuran-3-yl)sulfanylbutan-2-amine
CID 107779846
1,1,1-Trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine
CID 107780013
3,3,3-Trifluoro-2-[(2-methylfuran-3-yl)sulfanylmethyl]propan-1-amine
CID 107781137
2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 107782583
2,2,2-trifluoro-N-[2-(2-methylfuran-3-yl)sulfanylethyl]ethanamine
CID 107782585
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine
CID 7996867
N-[2-(furan-2-ylmethylsulfinyl)ethyl]propan-2-amine
CID 19869485

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile (CID 107781741) is 2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile is Cc1occc1SCC(C)(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile?
The InChIKey is KLEWIYVHUKAAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9-11(5-6-15-9)16-8-12(2,7-13)14-10-3-4-10/h5-6,10,14H,3-4,8H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile?
2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile has a molecular weight of 236.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile is sourced from PubChem (CID 107781741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).