N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide

C10H13N3OS — CID 84816863

IUPACN-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNC(C#N)c1ccsc1
InChIInChI=1S/C10H13N3OS/c1-8(14)12-3-4-13-10(6-11)9-2-5-15-7-9/h2,5,7,10,13H,3-4H2,1H3,(H,12,14)
InChIKeyQVGOGPXCRXLTAI-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.04
Rot. Bonds5

About N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide

N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide (PubChem CID 84816863) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide
PubChem CID84816863
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNC(C#N)c1ccsc1
InChIInChI=1S/C10H13N3OS/c1-8(14)12-3-4-13-10(6-11)9-2-5-15-7-9/h2,5,7,10,13H,3-4H2,1H3,(H,12,14)
InChIKeyQVGOGPXCRXLTAI-UHFFFAOYSA-N
XLogP1.04
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.04
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

N-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide
CID 84817868
N-[2-[[cyano-(4-methylphenyl)methyl]amino]ethyl]acetamide
CID 84816804
2-(butylamino)-2-thiophen-3-ylacetonitrile
CID 84816606
2-(3-methylbutylamino)-2-thiophen-3-ylacetonitrile
CID 84817819
2-[3-(diethylamino)propylamino]-2-thiophen-3-ylacetonitrile
CID 84817353
N-[2-[[1,3-benzodioxol-5-yl(cyano)methyl]amino]ethyl]acetamide
CID 84816861
N-[3-[[cyano-(4-fluorophenyl)methyl]amino]propyl]acetamide
CID 84817840
N-[3-[[cyano-[4-(dimethylamino)phenyl]methyl]amino]propyl]acetamide
CID 84817831
N-[(R)-cyano(thiophen-3-yl)methyl]-2-(2,6-dimethoxyphenyl)acetamide
CID 97223164
6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide
CID 103771643
(2R)-N-[(S)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95594142
(2R)-N-[(R)-cyano(thiophen-3-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95594140

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide (CID 84816863) is N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide is CC(=O)NCCNC(C#N)c1ccsc1.
What is the InChIKey of N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide?
The InChIKey is QVGOGPXCRXLTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-8(14)12-3-4-13-10(6-11)9-2-5-15-7-9/h2,5,7,10,13H,3-4H2,1H3,(H,12,14).
What are the key properties of N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide?
N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide has a molecular weight of 223.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide is sourced from PubChem (CID 84816863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).