1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile

C11H14N2S — CID 116911928

IUPAC1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile
SMILESCN(C)C(c1cccs1)C1(C#N)CC1
InChIInChI=1S/C11H14N2S/c1-13(2)10(9-4-3-7-14-9)11(8-12)5-6-11/h3-4,7,10H,5-6H2,1-2H3
InChIKeyUBHMTZAXDZVZNJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.65
Rot. Bonds3

About 1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile

1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile (PubChem CID 116911928) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile
PubChem CID116911928
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile
SMILESCN(C)C(c1cccs1)C1(C#N)CC1
InChIInChI=1S/C11H14N2S/c1-13(2)10(9-4-3-7-14-9)11(8-12)5-6-11/h3-4,7,10H,5-6H2,1-2H3
InChIKeyUBHMTZAXDZVZNJ-UHFFFAOYSA-N
XLogP2.65
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine
CID 116912556
[3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol
CID 116912949
N',N'-dimethyl-1-thiophen-2-ylmethanediamine
CID 116909030
1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile
CID 59443916
2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride
CID 45261293
1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242334
2-propan-2-ylthiophene
CID 178128598
1-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 105242356
2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile
CID 82075985
2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile
CID 82077721
N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43363267
4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile
CID 43205885

Frequently Asked Questions

What is the IUPAC name of 1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile (CID 116911928) is 1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile is CN(C)C(c1cccs1)C1(C#N)CC1.
What is the InChIKey of 1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is UBHMTZAXDZVZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-13(2)10(9-4-3-7-14-9)11(8-12)5-6-11/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of 1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile?
1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 206.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116911928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).