N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide

C12H17N3O3S — CID 62015152

IUPACN-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
SMILESCOCC(O)CN(C)CC(=O)Nc1sccc1C#N
InChIInChI=1S/C12H17N3O3S/c1-15(6-10(16)8-18-2)7-11(17)14-12-9(5-13)3-4-19-12/h3-4,10,16H,6-8H2,1-2H3,(H,14,17)
InChIKeyRRUHIYRXIBHBLW-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.50
Rot. Bonds7

About N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide

N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide (PubChem CID 62015152) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
PubChem CID62015152
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
SMILESCOCC(O)CN(C)CC(=O)Nc1sccc1C#N
InChIInChI=1S/C12H17N3O3S/c1-15(6-10(16)8-18-2)7-11(17)14-12-9(5-13)3-4-19-12/h3-4,10,16H,6-8H2,1-2H3,(H,14,17)
InChIKeyRRUHIYRXIBHBLW-UHFFFAOYSA-N
XLogP0.50
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide
CID 2368778
N-(3-cyanothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 45810921
N-(3-cyanothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 3690201
N-(3-cyanothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 103856872
N-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485323
N-(3-cyanothiophen-2-yl)-3-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide
CID 109967702
N-(3-cyanothiophen-2-yl)-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide
CID 109967946
N-(3-cyanothiophen-2-yl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111022259
N-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide
CID 47007154
N-(3-cyanothiophen-2-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2241120
N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2241121
N-(3-cyanothiophen-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2241122

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide (CID 62015152) is N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide is COCC(O)CN(C)CC(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide?
The InChIKey is RRUHIYRXIBHBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-15(6-10(16)8-18-2)7-11(17)14-12-9(5-13)3-4-19-12/h3-4,10,16H,6-8H2,1-2H3,(H,14,17).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide?
N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide has a molecular weight of 283.35 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide is sourced from PubChem (CID 62015152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).