4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile

C11H14N2S — CID 115149961

IUPAC4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile
SMILESN#CC1CCC(Nc2cccs2)CC1
InChIInChI=1S/C11H14N2S/c12-8-9-3-5-10(6-4-9)13-11-2-1-7-14-11/h1-2,7,9-10,13H,3-6H2
InChIKeyRGMCPJZNBGUREQ-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.24
Rot. Bonds2

About 4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile

4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile (PubChem CID 115149961) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile
PubChem CID115149961
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile
SMILESN#CC1CCC(Nc2cccs2)CC1
InChIInChI=1S/C11H14N2S/c12-8-9-3-5-10(6-4-9)13-11-2-1-7-14-11/h1-2,7,9-10,13H,3-6H2
InChIKeyRGMCPJZNBGUREQ-UHFFFAOYSA-N
XLogP3.24
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile (CID 115149961) is 4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile is N#CC1CCC(Nc2cccs2)CC1.
What is the InChIKey of 4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile?
The InChIKey is RGMCPJZNBGUREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c12-8-9-3-5-10(6-4-9)13-11-2-1-7-14-11/h1-2,7,9-10,13H,3-6H2.
What are the key properties of 4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile?
4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile has a molecular weight of 206.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 115149961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).