N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide

C10H11N3O2S — CID 61477384

IUPACN'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide
SMILESN#CCNC(=O)C(=O)NCCc1ccsc1
InChIInChI=1S/C10H11N3O2S/c11-3-5-13-10(15)9(14)12-4-1-8-2-6-16-7-8/h2,6-7H,1,4-5H2,(H,12,14)(H,13,15)
InChIKeyYKGAMKOSRWKZEF-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.05
Rot. Bonds4

About N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide

N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide (PubChem CID 61477384) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide
PubChem CID61477384
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC NameN'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide
SMILESN#CCNC(=O)C(=O)NCCc1ccsc1
InChIInChI=1S/C10H11N3O2S/c11-3-5-13-10(15)9(14)12-4-1-8-2-6-16-7-8/h2,6-7H,1,4-5H2,(H,12,14)(H,13,15)
InChIKeyYKGAMKOSRWKZEF-UHFFFAOYSA-N
XLogP0.05
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N'-(cyanomethyl)oxamide
CID 61380619
N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide
CID 61435264
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
3-(2-thiophen-3-ylethylamino)butanenitrile
CID 61474150
N-(2-thiophen-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 110475807
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
CID 81489154
2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide
CID 103890273
4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide
CID 103155650
(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94775939
2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid
CID 61475397

Frequently Asked Questions

What is the IUPAC name of N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide (CID 61477384) is N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide is N#CCNC(=O)C(=O)NCCc1ccsc1.
What is the InChIKey of N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide?
The InChIKey is YKGAMKOSRWKZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c11-3-5-13-10(15)9(14)12-4-1-8-2-6-16-7-8/h2,6-7H,1,4-5H2,(H,12,14)(H,13,15).
What are the key properties of N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide?
N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide has a molecular weight of 237.28 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 61477384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).