4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile

C12H16N2OS — CID 79674102

IUPAC4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile
SMILESCCc1ccc(CN2CCOC(C#N)C2)s1
InChIInChI=1S/C12H16N2OS/c1-2-11-3-4-12(16-11)9-14-5-6-15-10(7-13)8-14/h3-4,10H,2,5-6,8-9H2,1H3
InChIKeyGXNUPXLUAPPPOJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.03
Rot. Bonds3

About 4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile

4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile (PubChem CID 79674102) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile
PubChem CID79674102
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile
SMILESCCc1ccc(CN2CCOC(C#N)C2)s1
InChIInChI=1S/C12H16N2OS/c1-2-11-3-4-12(16-11)9-14-5-6-15-10(7-13)8-14/h3-4,10H,2,5-6,8-9H2,1H3
InChIKeyGXNUPXLUAPPPOJ-UHFFFAOYSA-N
XLogP2.03
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 79674457
4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile
CID 112734300
4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 102876748
1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile
CID 131903864
4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
CID 78967411
4-[[4-(trifluoromethyl)phenyl]methyl]morpholine-2-carbonitrile
CID 78946009
3-[(2-cyanomorpholin-4-yl)methyl]thiophene-2-carboxylic acid
CID 79674635
4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile
CID 79674868
N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide
CID 95621715
4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile
CID 106993855
4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile
CID 78995631
4-[(3-bromo-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 78946188

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile (CID 79674102) is 4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile is CCc1ccc(CN2CCOC(C#N)C2)s1.
What is the InChIKey of 4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile?
The InChIKey is GXNUPXLUAPPPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-11-3-4-12(16-11)9-14-5-6-15-10(7-13)8-14/h3-4,10H,2,5-6,8-9H2,1H3.
What are the key properties of 4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile?
4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile has a molecular weight of 236.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79674102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).