5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile

C9H12N2OS — CID 115675303

IUPAC5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile
SMILESCC(O)CNCc1ccc(C#N)s1
InChIInChI=1S/C9H12N2OS/c1-7(12)5-11-6-9-3-2-8(4-10)13-9/h2-3,7,11-12H,5-6H2,1H3
InChIKeyVXIRKXMVTPTCJX-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.09
Rot. Bonds4

About 5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile

5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile (PubChem CID 115675303) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile
PubChem CID115675303
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile
SMILESCC(O)CNCc1ccc(C#N)s1
InChIInChI=1S/C9H12N2OS/c1-7(12)5-11-6-9-3-2-8(4-10)13-9/h2-3,7,11-12H,5-6H2,1H3
InChIKeyVXIRKXMVTPTCJX-UHFFFAOYSA-N
XLogP1.09
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-ethyl-4-hydroxybutyl)amino]methyl]thiophene-2-carbonitrile
CID 115689771
5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile
CID 115675957
3-[(5-cyanothiophen-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 115675546
5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 104586907
5-[(pentylamino)methyl]thiophene-2-carbonitrile
CID 115675351
5-[(2-bromoprop-2-enylamino)methyl]thiophene-2-carbonitrile
CID 115675820
5-[(3,3-dimethylbutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675860
5-[[(4-methylphenyl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675383
5-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]thiophene-2-carbonitrile
CID 103729248
5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675851
3-[(5-cyanothiophen-2-yl)methylamino]propanamide
CID 115919596
methyl 2-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]thiophen-2-yl]acetate
CID 103923824

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile (CID 115675303) is 5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile is CC(O)CNCc1ccc(C#N)s1.
What is the InChIKey of 5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile?
The InChIKey is VXIRKXMVTPTCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-7(12)5-11-6-9-3-2-8(4-10)13-9/h2-3,7,11-12H,5-6H2,1H3.
What are the key properties of 5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile?
5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile has a molecular weight of 196.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115675303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).