5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile

C12H16N2S — CID 114543819

IUPAC5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile
SMILESCC1CCC(NCc2cc(C#N)cs2)C1
InChIInChI=1S/C12H16N2S/c1-9-2-3-11(4-9)14-7-12-5-10(6-13)8-15-12/h5,8-9,11,14H,2-4,7H2,1H3
InChIKeyMQCAJYISOCQUCI-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.90
Rot. Bonds3

About 5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile

5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile (PubChem CID 114543819) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile
PubChem CID114543819
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile
SMILESCC1CCC(NCc2cc(C#N)cs2)C1
InChIInChI=1S/C12H16N2S/c1-9-2-3-11(4-9)14-7-12-5-10(6-13)8-15-12/h5,8-9,11,14H,2-4,7H2,1H3
InChIKeyMQCAJYISOCQUCI-UHFFFAOYSA-N
XLogP2.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79553787
5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79553308
5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile
CID 79553461
3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543900
4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile
CID 64501741
5-[[(2-hydroxycycloheptyl)amino]methyl]thiophene-3-carbonitrile
CID 113394650
5-[[(2,2-diethyloxan-4-yl)amino]methyl]thiophene-3-carbonitrile
CID 82760308
trans-(1S,3S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylcyclohexan-1-amine
CID 93287197
5-[[(2-ethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79545724
5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile
CID 115768375
cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 95376419
2-[[3-[(4-cyanothiophen-2-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122041998

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile (CID 114543819) is 5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile is CC1CCC(NCc2cc(C#N)cs2)C1.
What is the InChIKey of 5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile?
The InChIKey is MQCAJYISOCQUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-9-2-3-11(4-9)14-7-12-5-10(6-13)8-15-12/h5,8-9,11,14H,2-4,7H2,1H3.
What are the key properties of 5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile?
5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile has a molecular weight of 220.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 114543819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).