2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile

C15H14N2S — CID 61435368

IUPAC2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile
SMILESN#Cc1ccccc1N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H14N2S/c16-9-13-3-1-2-4-15(13)17(14-5-6-14)10-12-7-8-18-11-12/h1-4,7-8,11,14H,5-6,10H2
InChIKeyBRHGLJPSOFICDT-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.79
Rot. Bonds4

About 2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile

2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile (PubChem CID 61435368) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile
PubChem CID61435368
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile
SMILESN#Cc1ccccc1N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H14N2S/c16-9-13-3-1-2-4-15(13)17(14-5-6-14)10-12-7-8-18-11-12/h1-4,7-8,11,14H,5-6,10H2
InChIKeyBRHGLJPSOFICDT-UHFFFAOYSA-N
XLogP3.79
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 114901541
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,3-difluorobenzonitrile
CID 107933466
2-[(4-aminophenyl)methyl-cyclopropylamino]benzonitrile
CID 60876666
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2-fluorobenzonitrile
CID 103912099
2-[cyclopropyl(ethyl)amino]benzonitrile
CID 43264326
3-chloro-N-cyclopropyl-2-nitro-N-(thiophen-3-ylmethyl)aniline
CID 104838873
(1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol
CID 63371267
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 61433428
4-bromo-1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 55135535
1-N-cyclopropyl-4-fluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 61434045
3-bromo-4-[cyclopropyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 82799106
8-N-cyclopropyl-8-N-(thiophen-3-ylmethyl)isoquinoline-5,8-diamine
CID 103137550

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile?
The IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile (CID 61435368) is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile.
What is the SMILES notation for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile?
The canonical SMILES for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile is N#Cc1ccccc1N(Cc1ccsc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile?
The InChIKey is BRHGLJPSOFICDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c16-9-13-3-1-2-4-15(13)17(14-5-6-14)10-12-7-8-18-11-12/h1-4,7-8,11,14H,5-6,10H2.
What are the key properties of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile?
2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile has a molecular weight of 254.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile is sourced from PubChem (CID 61435368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).