5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile

C10H14N2OS — CID 91649635

IUPAC5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile
SMILESCC(O)CN(C)Cc1cc(C#N)cs1
InChIInChI=1S/C10H14N2OS/c1-8(13)5-12(2)6-10-3-9(4-11)7-14-10/h3,7-8,13H,5-6H2,1-2H3
InChIKeyXXUPWFSCRWUWEJ-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.43
Rot. Bonds4

About 5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile

5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile (PubChem CID 91649635) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile
PubChem CID91649635
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile
SMILESCC(O)CN(C)Cc1cc(C#N)cs1
InChIInChI=1S/C10H14N2OS/c1-8(13)5-12(2)6-10-3-9(4-11)7-14-10/h3,7-8,13H,5-6H2,1-2H3
InChIKeyXXUPWFSCRWUWEJ-UHFFFAOYSA-N
XLogP1.43
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile 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 5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile (CID 91649635) is 5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile is CC(O)CN(C)Cc1cc(C#N)cs1.
What is the InChIKey of 5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile?
The InChIKey is XXUPWFSCRWUWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8(13)5-12(2)6-10-3-9(4-11)7-14-10/h3,7-8,13H,5-6H2,1-2H3.
What are the key properties of 5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile?
5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile has a molecular weight of 210.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxypropyl(methyl)amino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 91649635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).