N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide

C12H15N3O2S — CID 33112194

IUPACN-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2sccc2C#N)CCO1
InChIInChI=1S/C12H15N3O2S/c1-9-7-15(3-4-17-9)8-11(16)14-12-10(6-13)2-5-18-12/h2,5,9H,3-4,7-8H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyHKLXUQNHXZQHRG-VIFPVBQESA-N
MW265.34 g/mol
LogP1.28
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide

N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide (PubChem CID 33112194) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
PubChem CID33112194
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2sccc2C#N)CCO1
InChIInChI=1S/C12H15N3O2S/c1-9-7-15(3-4-17-9)8-11(16)14-12-10(6-13)2-5-18-12/h2,5,9H,3-4,7-8H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyHKLXUQNHXZQHRG-VIFPVBQESA-N
XLogP1.28
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2241121
2-[[2-[(2S)-2-methylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 30238407
N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898672
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 95383272
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032930
N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81214186
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide
CID 79992685
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
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63137212
ethyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 4832658
N-(3-cyanothiophen-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194992

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide (CID 33112194) is N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide is C[C@H]1CN(CC(=O)Nc2sccc2C#N)CCO1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide?
The InChIKey is HKLXUQNHXZQHRG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-9-7-15(3-4-17-9)8-11(16)14-12-10(6-13)2-5-18-12/h2,5,9H,3-4,7-8H2,1H3,(H,14,16)/t9-/m0/s1.
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide has a molecular weight of 265.34 g/mol, XLogP of 1.28, 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)-2-methylmorpholin-4-yl]acetamide is sourced from PubChem (CID 33112194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).