2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile

C17H17N3S — CID 51322838

IUPAC2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile
SMILESCC(c1cccs1)N(C)Cc1cn2ccccc2c1C#N
InChIInChI=1S/C17H17N3S/c1-13(17-7-5-9-21-17)19(2)11-14-12-20-8-4-3-6-16(20)15(14)10-18/h3-9,12-13H,11H2,1-2H3
InChIKeyDLEVWYPAAVQBAX-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.07
Rot. Bonds4

About 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile

2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile (PubChem CID 51322838) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile
PubChem CID51322838
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile
SMILESCC(c1cccs1)N(C)Cc1cn2ccccc2c1C#N
InChIInChI=1S/C17H17N3S/c1-13(17-7-5-9-21-17)19(2)11-14-12-20-8-4-3-6-16(20)15(14)10-18/h3-9,12-13H,11H2,1-2H3
InChIKeyDLEVWYPAAVQBAX-UHFFFAOYSA-N
XLogP4.07
TPSA31.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile (CID 51322838) is 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile is CC(c1cccs1)N(C)Cc1cn2ccccc2c1C#N.
What is the InChIKey of 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile?
The InChIKey is DLEVWYPAAVQBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-13(17-7-5-9-21-17)19(2)11-14-12-20-8-4-3-6-16(20)15(14)10-18/h3-9,12-13H,11H2,1-2H3.
What are the key properties of 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile?
2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile has a molecular weight of 295.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 51322838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).