3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile

C16H16N2OS — CID 29107176

IUPAC3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile
SMILESN#Cc1sccc1-c1ccccc1CN1CCOCC1
InChIInChI=1S/C16H16N2OS/c17-11-16-15(5-10-20-16)14-4-2-1-3-13(14)12-18-6-8-19-9-7-18/h1-5,10H,6-9,12H2
InChIKeySSJWHQNYZPXOBS-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.12
Rot. Bonds3

About 3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile

3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile (PubChem CID 29107176) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile
PubChem CID29107176
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile
SMILESN#Cc1sccc1-c1ccccc1CN1CCOCC1
InChIInChI=1S/C16H16N2OS/c17-11-16-15(5-10-20-16)14-4-2-1-3-13(14)12-18-6-8-19-9-7-18/h1-5,10H,6-9,12H2
InChIKeySSJWHQNYZPXOBS-UHFFFAOYSA-N
XLogP3.12
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 133950
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CID 54767747
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CID 210739
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CID 15945816
CID 15945816
CID 46068285
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CID 46991635
CID 46991635
CID 53567852
CID 53567852
CID 53575750
CID 53575750
CID 71915391
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CID 72142275
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CID 133949
CID 133949

Frequently Asked Questions

What is the IUPAC name of 3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile?
The IUPAC name of 3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile (CID 29107176) is 3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile.
What is the SMILES notation for 3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile?
The canonical SMILES for 3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile is N#Cc1sccc1-c1ccccc1CN1CCOCC1.
What is the InChIKey of 3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile?
The InChIKey is SSJWHQNYZPXOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c17-11-16-15(5-10-20-16)14-4-2-1-3-13(14)12-18-6-8-19-9-7-18/h1-5,10H,6-9,12H2.
What are the key properties of 3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile?
3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile has a molecular weight of 284.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(morpholin-4-ylmethyl)phenyl]thiophene-2-carbonitrile is sourced from PubChem (CID 29107176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).