3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile

C12H15NS — CID 65401660

IUPAC3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(Cc2ccsc2)C1
InChIInChI=1S/C12H15NS/c1-10-2-4-12(6-10,9-13)7-11-3-5-14-8-11/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyOOVIIDTWRLDLTJ-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.62
Rot. Bonds2

About 3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile

3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile (PubChem CID 65401660) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile
PubChem CID65401660
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(Cc2ccsc2)C1
InChIInChI=1S/C12H15NS/c1-10-2-4-12(6-10,9-13)7-11-3-5-14-8-11/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyOOVIIDTWRLDLTJ-UHFFFAOYSA-N
XLogP3.62
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile
CID 65377433
1-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 65401049
1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 65401046
1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 65400247
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile
CID 65401861
3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile
CID 112645123
3-methyl-1-[(3-nitrophenyl)methyl]cyclopentane-1-carbonitrile
CID 65403077
3-methyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-ol
CID 65154208
3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene
CID 164652404
1-[(3,5-dimethylphenyl)methyl]-3-methylcyclohexane-1-carbonitrile
CID 65378501
1-[(3-chlorophenyl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 65376639
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carbonitrile
CID 65378094

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile?
The IUPAC name of 3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile (CID 65401660) is 3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile is CC1CCC(C#N)(Cc2ccsc2)C1.
What is the InChIKey of 3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile?
The InChIKey is OOVIIDTWRLDLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-10-2-4-12(6-10,9-13)7-11-3-5-14-8-11/h3,5,8,10H,2,4,6-7H2,1H3.
What are the key properties of 3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile?
3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile has a molecular weight of 205.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 65401660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).