2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

C9H13N3OS — CID 15703243

IUPAC2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESCN(C)CC(=O)N/N=C/c1cccs1
InChIInChI=1S/C9H13N3OS/c1-12(2)7-9(13)11-10-6-8-4-3-5-14-8/h3-6H,7H2,1-2H3,(H,11,13)/b10-6+
InChIKeyNYEMZZQXRCLWOD-UXBLZVDNSA-N
MW211.29 g/mol
LogP0.76
Rot. Bonds4

About 2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 15703243) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID15703243
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESCN(C)CC(=O)N/N=C/c1cccs1
InChIInChI=1S/C9H13N3OS/c1-12(2)7-9(13)11-10-6-8-4-3-5-14-8/h3-6H,7H2,1-2H3,(H,11,13)/b10-6+
InChIKeyNYEMZZQXRCLWOD-UXBLZVDNSA-N
XLogP0.76
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-thiophen-2-ylmethylideneamino]octanamide
CID 6894116
N-(thiophen-2-ylmethylideneamino)undecanamide
CID 2164157
N-(thiophen-2-ylmethylideneamino)octadecanamide
CID 75087356
2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5331773
2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 26871383
2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 6368519
2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5427947
2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5335834
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005
3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
CID 5414238
4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 5335033
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5392256

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (CID 15703243) is 2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is CN(C)CC(=O)N/N=C/c1cccs1.
What is the InChIKey of 2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is NYEMZZQXRCLWOD-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-12(2)7-9(13)11-10-6-8-4-3-5-14-8/h3-6H,7H2,1-2H3,(H,11,13)/b10-6+.
What are the key properties of 2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 211.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 15703243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).