5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile

C13H19N3OS — CID 115675326

IUPAC5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNCCCN2CCOCC2)s1
InChIInChI=1S/C13H19N3OS/c14-10-12-2-3-13(18-12)11-15-4-1-5-16-6-8-17-9-7-16/h2-3,15H,1,4-9,11H2
InChIKeyFXGUCWVIZBYPGN-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.43
Rot. Bonds6

About 5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile

5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile (PubChem CID 115675326) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile
PubChem CID115675326
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNCCCN2CCOCC2)s1
InChIInChI=1S/C13H19N3OS/c14-10-12-2-3-13(18-12)11-15-4-1-5-16-6-8-17-9-7-16/h2-3,15H,1,4-9,11H2
InChIKeyFXGUCWVIZBYPGN-UHFFFAOYSA-N
XLogP1.43
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2224555
N-[(5-chlorothiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672980
4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 28672523
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
5-[(pentylamino)methyl]thiophene-2-carbonitrile
CID 115675351
3,5-difluoro-4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 107037691
N-[(5-bromothiophen-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28658161
2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 106787055
3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride
CID 17332415
4-(3-morpholin-4-ylpropylamino)butanenitrile
CID 43236907
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 112755271

Frequently Asked Questions

What is the IUPAC name of 5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile (CID 115675326) is 5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile is N#Cc1ccc(CNCCCN2CCOCC2)s1.
What is the InChIKey of 5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile?
The InChIKey is FXGUCWVIZBYPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c14-10-12-2-3-13(18-12)11-15-4-1-5-16-6-8-17-9-7-16/h2-3,15H,1,4-9,11H2.
What are the key properties of 5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile?
5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile has a molecular weight of 265.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115675326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).