1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile

C16H23NOS — CID 79130211

IUPAC1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(C(C)(O)c2cccs2)CC1
InChIInChI=1S/C16H23NOS/c1-3-5-13-7-9-16(12-17,10-8-13)15(2,18)14-6-4-11-19-14/h4,6,11,13,18H,3,5,7-10H2,1-2H3
InChIKeyWEUBZCQVMDGZJB-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.46
Rot. Bonds4

About 1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile

1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile (PubChem CID 79130211) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile
PubChem CID79130211
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(C(C)(O)c2cccs2)CC1
InChIInChI=1S/C16H23NOS/c1-3-5-13-7-9-16(12-17,10-8-13)15(2,18)14-6-4-11-19-14/h4,6,11,13,18H,3,5,7-10H2,1-2H3
InChIKeyWEUBZCQVMDGZJB-UHFFFAOYSA-N
XLogP4.46
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-bromophenyl)-1-hydroxyethyl]-4-propylcyclohexane-1-carbonitrile
CID 79116035
1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile
CID 79130626
1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile
CID 114795078
1-[1-(3-chlorophenyl)-1-hydroxyethyl]-4-ethylcyclohexane-1-carbonitrile
CID 79130919
1-[1-(3-bromophenyl)-1-hydroxyethyl]-3-ethylcyclopentane-1-carbonitrile
CID 79130290
4-(1-hydroxy-1-thiophen-2-ylethyl)-2,3-dihydrochromene-4-carbonitrile
CID 79129239
1-[1-(2-chlorophenyl)-1-hydroxyethyl]-3-ethylcyclopentane-1-carbonitrile
CID 79129155
3-ethyl-1-[1-(2-fluorophenyl)-1-hydroxyethyl]cyclopentane-1-carbonitrile
CID 79130913
3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile
CID 79130907
1-[1-hydroxy-1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 114911274
4-propyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 63774785
[4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol
CID 61057016

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile (CID 79130211) is 1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)(C(C)(O)c2cccs2)CC1.
What is the InChIKey of 1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile?
The InChIKey is WEUBZCQVMDGZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-3-5-13-7-9-16(12-17,10-8-13)15(2,18)14-6-4-11-19-14/h4,6,11,13,18H,3,5,7-10H2,1-2H3.
What are the key properties of 1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile?
1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile has a molecular weight of 277.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 79130211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).