2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide

C7H15N3O4S — CID 79557245

IUPAC2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide
SMILESCC(C)(CNC(=O)C(=O)NN)S(C)(=O)=O
InChIInChI=1S/C7H15N3O4S/c1-7(2,15(3,13)14)4-9-5(11)6(12)10-8/h4,8H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyHUUBRTVKURUELS-UHFFFAOYSA-N
MW237.28 g/mol
LogP-2.08
Rot. Bonds3

About 2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide

2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide (PubChem CID 79557245) has the molecular formula C7H15N3O4S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide
PubChem CID79557245
Molecular FormulaC7H15N3O4S
Molecular Weight237.28 g/mol
Exact Mass237.08
IUPAC Name2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide
SMILESCC(C)(CNC(=O)C(=O)NN)S(C)(=O)=O
InChIInChI=1S/C7H15N3O4S/c1-7(2,15(3,13)14)4-9-5(11)6(12)10-8/h4,8H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyHUUBRTVKURUELS-UHFFFAOYSA-N
XLogP-2.08
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-2-methylsulfonylpropyl)hydrazine;hydrochloride
CID 75481320
3-amino-2,2-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide
CID 79563054
2-(1-aminocyclopentyl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide
CID 79551122
(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79551034
2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide
CID 116678398
5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 79550040
2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79558305
N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide
CID 107032221
7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
CID 79550577
3-amino-4-[(2-methyl-2-methylsulfonylpropyl)amino]-4-oxobutanoic acid
CID 79550317
1-ethyl-3-(2-methyl-2-methylsulfonylpropyl)thiourea
CID 115675097
4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114391167

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide?
The IUPAC name of 2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide (CID 79557245) is 2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide.
What is the SMILES notation for 2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide?
The canonical SMILES for 2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide is CC(C)(CNC(=O)C(=O)NN)S(C)(=O)=O.
What is the InChIKey of 2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide?
The InChIKey is HUUBRTVKURUELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O4S/c1-7(2,15(3,13)14)4-9-5(11)6(12)10-8/h4,8H2,1-3H3,(H,9,11)(H,10,12).
What are the key properties of 2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide?
2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide has a molecular weight of 237.28 g/mol, XLogP of -2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide is sourced from PubChem (CID 79557245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).