N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide

C13H17N3O2S — CID 2241121

IUPACN-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2sccc2C#N)C[C@H](C)O1
InChIInChI=1S/C13H17N3O2S/c1-9-6-16(7-10(2)18-9)8-12(17)15-13-11(5-14)3-4-19-13/h3-4,9-10H,6-8H2,1-2H3,(H,15,17)/t9-,10+
InChIKeyJWJHVRLALUGUFI-AOOOYVTPSA-N
MW279.37 g/mol
LogP1.67
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide

N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide (PubChem CID 2241121) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide
PubChem CID2241121
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2sccc2C#N)C[C@H](C)O1
InChIInChI=1S/C13H17N3O2S/c1-9-6-16(7-10(2)18-9)8-12(17)15-13-11(5-14)3-4-19-13/h3-4,9-10H,6-8H2,1-2H3,(H,15,17)/t9-,10+
InChIKeyJWJHVRLALUGUFI-AOOOYVTPSA-N
XLogP1.67
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 33112194
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide
CID 79992685
N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898672
N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81214186
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032930
N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 43162397
methyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742622
N-(3-cyanothiophen-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194992
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 4963289
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2652917
N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 86976852
ethyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 4832658

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide (CID 2241121) is N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide is C[C@@H]1CN(CC(=O)Nc2sccc2C#N)C[C@H](C)O1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide?
The InChIKey is JWJHVRLALUGUFI-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-6-16(7-10(2)18-9)8-12(17)15-13-11(5-14)3-4-19-13/h3-4,9-10H,6-8H2,1-2H3,(H,15,17)/t9-,10+.
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide has a molecular weight of 279.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide is sourced from PubChem (CID 2241121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).