3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile

C11H13NO2S — CID 148635999

IUPAC3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile
SMILESN#Cc1sccc1COC1CCCCO1
InChIInChI=1S/C11H13NO2S/c12-7-10-9(4-6-15-10)8-14-11-3-1-2-5-13-11/h4,6,11H,1-3,5,8H2
InChIKeyNJBURVHMPQLSQO-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.66
Rot. Bonds3

About 3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile

3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile (PubChem CID 148635999) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile
PubChem CID148635999
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile
SMILESN#Cc1sccc1COC1CCCCO1
InChIInChI=1S/C11H13NO2S/c12-7-10-9(4-6-15-10)8-14-11-3-1-2-5-13-11/h4,6,11H,1-3,5,8H2
InChIKeyNJBURVHMPQLSQO-UHFFFAOYSA-N
XLogP2.66
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-bromothiophen-3-yl)methoxy]oxane
CID 20815950
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane
CID 54432841
4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
2-bromo-4-(oxan-2-yloxymethyl)benzonitrile
CID 90092021
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
2-[(3-methyl-2-nitrophenyl)methoxy]oxane
CID 11622955
2-[(2-fluoro-5-nitrophenyl)methoxy]oxane
CID 22179631
2-[11-(2-bromothiophen-3-yl)undecoxy]oxane
CID 15538798
4-[3-(oxan-2-yloxy)prop-1-ynyl]benzonitrile
CID 166449331
dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102158600

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile?
The IUPAC name of 3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile (CID 148635999) is 3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile.
What is the SMILES notation for 3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile?
The canonical SMILES for 3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile is N#Cc1sccc1COC1CCCCO1.
What is the InChIKey of 3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile?
The InChIKey is NJBURVHMPQLSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c12-7-10-9(4-6-15-10)8-14-11-3-1-2-5-13-11/h4,6,11H,1-3,5,8H2.
What are the key properties of 3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile?
3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile has a molecular weight of 223.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile is sourced from PubChem (CID 148635999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).