1-thiophen-2-ylcyclohexane-1-carbonitrile

C11H13NS — CID 19754807

IUPAC1-thiophen-2-ylcyclohexane-1-carbonitrile
SMILESN#CC1(c2cccs2)CCCCC1
InChIInChI=1S/C11H13NS/c12-9-11(6-2-1-3-7-11)10-5-4-8-13-10/h4-5,8H,1-3,6-7H2
InChIKeyKTEMQFYJEQOWLW-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.47
Rot. Bonds1

About 1-thiophen-2-ylcyclohexane-1-carbonitrile

1-thiophen-2-ylcyclohexane-1-carbonitrile (PubChem CID 19754807) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-thiophen-2-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-thiophen-2-ylcyclohexane-1-carbonitrile
PubChem CID19754807
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name1-thiophen-2-ylcyclohexane-1-carbonitrile
SMILESN#CC1(c2cccs2)CCCCC1
InChIInChI=1S/C11H13NS/c12-9-11(6-2-1-3-7-11)10-5-4-8-13-10/h4-5,8H,1-3,6-7H2
InChIKeyKTEMQFYJEQOWLW-UHFFFAOYSA-N
XLogP3.47
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylcyclohexane-1-carbonitrile?
The IUPAC name of 1-thiophen-2-ylcyclohexane-1-carbonitrile (CID 19754807) is 1-thiophen-2-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-thiophen-2-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-thiophen-2-ylcyclohexane-1-carbonitrile is N#CC1(c2cccs2)CCCCC1.
What is the InChIKey of 1-thiophen-2-ylcyclohexane-1-carbonitrile?
The InChIKey is KTEMQFYJEQOWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c12-9-11(6-2-1-3-7-11)10-5-4-8-13-10/h4-5,8H,1-3,6-7H2.
What are the key properties of 1-thiophen-2-ylcyclohexane-1-carbonitrile?
1-thiophen-2-ylcyclohexane-1-carbonitrile has a molecular weight of 191.30 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 19754807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).