2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile

C12H16N2S — CID 62071589

IUPAC2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccs1)C1CCCC1
InChIInChI=1S/C12H16N2S/c13-8-12(10-4-1-2-5-10)14-9-11-6-3-7-15-11/h3,6-7,10,12,14H,1-2,4-5,9H2
InChIKeyAXLYCQOTCUPGPY-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.92
Rot. Bonds4

About 2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile

2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile (PubChem CID 62071589) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile
PubChem CID62071589
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccs1)C1CCCC1
InChIInChI=1S/C12H16N2S/c13-8-12(10-4-1-2-5-10)14-9-11-6-3-7-15-11/h3,6-7,10,12,14H,1-2,4-5,9H2
InChIKeyAXLYCQOTCUPGPY-UHFFFAOYSA-N
XLogP2.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 107132929
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61005240
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803
4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine
CID 115644666
3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol
CID 115646628
3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61318743
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
methyl 3-cyclobutyl-3-(thiophen-2-ylmethylamino)propanoate
CID 134162056
4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile
CID 62708816

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile?
The IUPAC name of 2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile (CID 62071589) is 2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile?
The canonical SMILES for 2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile is N#CC(NCc1cccs1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile?
The InChIKey is AXLYCQOTCUPGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c13-8-12(10-4-1-2-5-10)14-9-11-6-3-7-15-11/h3,6-7,10,12,14H,1-2,4-5,9H2.
What are the key properties of 2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile?
2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile has a molecular weight of 220.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile is sourced from PubChem (CID 62071589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).