1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile

C14H19NS — CID 65400247

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile
SMILESCCc1ccc(CC2(C#N)CCC(C)C2)s1
InChIInChI=1S/C14H19NS/c1-3-12-4-5-13(16-12)9-14(10-15)7-6-11(2)8-14/h4-5,11H,3,6-9H2,1-2H3
InChIKeyVCTHNKLAWHFPMD-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.18
Rot. Bonds3

About 1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile

1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile (PubChem CID 65400247) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile
PubChem CID65400247
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile
SMILESCCc1ccc(CC2(C#N)CCC(C)C2)s1
InChIInChI=1S/C14H19NS/c1-3-12-4-5-13(16-12)9-14(10-15)7-6-11(2)8-14/h4-5,11H,3,6-9H2,1-2H3
InChIKeyVCTHNKLAWHFPMD-UHFFFAOYSA-N
XLogP4.18
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile (CID 65400247) is 1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile is CCc1ccc(CC2(C#N)CCC(C)C2)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile?
The InChIKey is VCTHNKLAWHFPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-3-12-4-5-13(16-12)9-14(10-15)7-6-11(2)8-14/h4-5,11H,3,6-9H2,1-2H3.
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile?
1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile has a molecular weight of 233.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile is sourced from PubChem (CID 65400247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).