N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide

C7H13N3O3S — CID 60918929

IUPACN-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide
SMILESCS(=O)(=O)CCNCC(=O)NCC#N
InChIInChI=1S/C7H13N3O3S/c1-14(12,13)5-4-9-6-7(11)10-3-2-8/h9H,3-6H2,1H3,(H,10,11)
InChIKeyFIUBWMVKKCUDCU-UHFFFAOYSA-N
MW219.27 g/mol
LogP-1.74
Rot. Bonds6

About N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide

N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide (PubChem CID 60918929) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide
PubChem CID60918929
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC NameN-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide
SMILESCS(=O)(=O)CCNCC(=O)NCC#N
InChIInChI=1S/C7H13N3O3S/c1-14(12,13)5-4-9-6-7(11)10-3-2-8/h9H,3-6H2,1H3,(H,10,11)
InChIKeyFIUBWMVKKCUDCU-UHFFFAOYSA-N
XLogP-1.74
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide 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-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
CID 43153290
N-(cyanomethyl)-2-(3-methylsulfanylpropylamino)acetamide
CID 63964920
N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide
CID 60915783
N-(cyanomethyl)-2-formamidoacetamide
CID 143975878
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide
CID 115356626
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856
2-(2-methylsulfonylethylamino)-N-phenylacetamide
CID 54935124
N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide
CID 102698102
N-(cyanomethyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 79749194
1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone
CID 54934696
N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide
CID 130626263
2-methyl-3-(2-methylsulfonylethylamino)propanenitrile
CID 60918811

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide (CID 60918929) is N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide is CS(=O)(=O)CCNCC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide?
The InChIKey is FIUBWMVKKCUDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-14(12,13)5-4-9-6-7(11)10-3-2-8/h9H,3-6H2,1H3,(H,10,11).
What are the key properties of N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide?
N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide has a molecular weight of 219.27 g/mol, XLogP of -1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide is sourced from PubChem (CID 60918929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).