N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide

C10H13N3OS — CID 60976742

IUPACN-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide
SMILESN#CCCNC(=O)CNCc1ccsc1
InChIInChI=1S/C10H13N3OS/c11-3-1-4-13-10(14)7-12-6-9-2-5-15-8-9/h2,5,8,12H,1,4,6-7H2,(H,13,14)
InChIKeyAIYIJPRMOPXRCP-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.87
Rot. Bonds6

About N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide

N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide (PubChem CID 60976742) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide
PubChem CID60976742
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide
SMILESN#CCCNC(=O)CNCc1ccsc1
InChIInChI=1S/C10H13N3OS/c11-3-1-4-13-10(14)7-12-6-9-2-5-15-8-9/h2,5,8,12H,1,4,6-7H2,(H,13,14)
InChIKeyAIYIJPRMOPXRCP-UHFFFAOYSA-N
XLogP0.87
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide
CID 60972076
N-phenyl-2-(thiophen-3-ylmethylamino)acetamide
CID 47271664
2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 79279865
N-(2-cyanoethyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81177679
N-(2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958029
1-(azepan-1-yl)-2-(thiophen-3-ylmethylamino)ethanone
CID 60975399
N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 81427738
N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide
CID 61477384
N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide
CID 60976875
3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide
CID 63246869
N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide
CID 62651288
N-(2-cyanoethyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide
CID 112668879

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide (CID 60976742) is N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide is N#CCCNC(=O)CNCc1ccsc1.
What is the InChIKey of N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide?
The InChIKey is AIYIJPRMOPXRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c11-3-1-4-13-10(14)7-12-6-9-2-5-15-8-9/h2,5,8,12H,1,4,6-7H2,(H,13,14).
What are the key properties of N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide?
N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide has a molecular weight of 223.30 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide is sourced from PubChem (CID 60976742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).