2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide

C10H13N3O2S — CID 115774710

IUPAC2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide
SMILESCOCC(NCc1ccc(C#N)s1)C(N)=O
InChIInChI=1S/C10H13N3O2S/c1-15-6-9(10(12)14)13-5-8-3-2-7(4-11)16-8/h2-3,9,13H,5-6H2,1H3,(H2,12,14)
InChIKeySMEGPINZSWQANY-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.21
Rot. Bonds6

About 2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide

2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide (PubChem CID 115774710) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide.

Molecular Properties

Compound Name2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide
PubChem CID115774710
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide
SMILESCOCC(NCc1ccc(C#N)s1)C(N)=O
InChIInChI=1S/C10H13N3O2S/c1-15-6-9(10(12)14)13-5-8-3-2-7(4-11)16-8/h2-3,9,13H,5-6H2,1H3,(H2,12,14)
InChIKeySMEGPINZSWQANY-UHFFFAOYSA-N
XLogP0.21
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide
CID 115675429
3-methoxy-2-[(5-methylthiophen-2-yl)methylamino]propanoic acid
CID 103248296
2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide
CID 115774727
3-methoxy-2-(thiophen-3-ylmethylamino)propanamide
CID 115774705
3-[(5-cyanothiophen-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115675704
5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 104586907
5-[(1-hydroxybutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675340
3-[(5-cyanothiophen-2-yl)methylamino]propanamide
CID 115919596
5-[(3,3-dimethylbutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675860
5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile
CID 115675303
5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
CID 115675878
tert-butyl 2-[(5-cyanothiophen-2-yl)methylamino]acetate
CID 115978305

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide?
The IUPAC name of 2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide (CID 115774710) is 2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide.
What is the SMILES notation for 2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide?
The canonical SMILES for 2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide is COCC(NCc1ccc(C#N)s1)C(N)=O.
What is the InChIKey of 2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide?
The InChIKey is SMEGPINZSWQANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-15-6-9(10(12)14)13-5-8-3-2-7(4-11)16-8/h2-3,9,13H,5-6H2,1H3,(H2,12,14).
What are the key properties of 2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide?
2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide has a molecular weight of 239.30 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide is sourced from PubChem (CID 115774710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).