5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile

C15H22N2S — CID 79553308

IUPAC5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
SMILESCCCC1CCC(NCc2cc(C#N)cs2)CC1
InChIInChI=1S/C15H22N2S/c1-2-3-12-4-6-14(7-5-12)17-10-15-8-13(9-16)11-18-15/h8,11-12,14,17H,2-7,10H2,1H3
InChIKeyYRARYOBWTXVCHM-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.07
Rot. Bonds5

About 5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile

5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile (PubChem CID 79553308) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
PubChem CID79553308
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
SMILESCCCC1CCC(NCc2cc(C#N)cs2)CC1
InChIInChI=1S/C15H22N2S/c1-2-3-12-4-6-14(7-5-12)17-10-15-8-13(9-16)11-18-15/h8,11-12,14,17H,2-7,10H2,1H3
InChIKeyYRARYOBWTXVCHM-UHFFFAOYSA-N
XLogP4.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile (CID 79553308) is 5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile is CCCC1CCC(NCc2cc(C#N)cs2)CC1.
What is the InChIKey of 5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile?
The InChIKey is YRARYOBWTXVCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-2-3-12-4-6-14(7-5-12)17-10-15-8-13(9-16)11-18-15/h8,11-12,14,17H,2-7,10H2,1H3.
What are the key properties of 5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile?
5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile has a molecular weight of 262.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79553308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).