N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide

C12H13N3O2S — CID 61435264

IUPACN-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide
SMILESN#CCNC(=O)C(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H13N3O2S/c13-4-5-14-11(16)12(17)15(10-1-2-10)7-9-3-6-18-8-9/h3,6,8,10H,1-2,5,7H2,(H,14,16)
InChIKeyJIOIWELJONWZQM-UHFFFAOYSA-N
MW263.32 g/mol
LogP0.88
Rot. Bonds4

About N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide

N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide (PubChem CID 61435264) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide
PubChem CID61435264
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide
SMILESN#CCNC(=O)C(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H13N3O2S/c13-4-5-14-11(16)12(17)15(10-1-2-10)7-9-3-6-18-8-9/h3,6,8,10H,1-2,5,7H2,(H,14,16)
InChIKeyJIOIWELJONWZQM-UHFFFAOYSA-N
XLogP0.88
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide
CID 61477384
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide
CID 51055390
3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61435483
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide
CID 61168568
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167
2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide
CID 61439057
(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 95788460
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide (CID 61435264) is N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide is N#CCNC(=O)C(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide?
The InChIKey is JIOIWELJONWZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-4-5-14-11(16)12(17)15(10-1-2-10)7-9-3-6-18-8-9/h3,6,8,10H,1-2,5,7H2,(H,14,16).
What are the key properties of N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide?
N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide has a molecular weight of 263.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide is sourced from PubChem (CID 61435264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).