2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide

C7H14N2O4S — CID 156513588

IUPAC2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide
SMILESCC(C)C(=O)NNC(=O)CS(C)(=O)=O
InChIInChI=1S/C7H14N2O4S/c1-5(2)7(11)9-8-6(10)4-14(3,12)13/h5H,4H2,1-3H3,(H,8,10)(H,9,11)
InChIKeyVWIONBWVZWOWIS-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.17
Rot. Bonds3

About 2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide

2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide (PubChem CID 156513588) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide.

Molecular Properties

Compound Name2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide
PubChem CID156513588
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide
SMILESCC(C)C(=O)NNC(=O)CS(C)(=O)=O
InChIInChI=1S/C7H14N2O4S/c1-5(2)7(11)9-8-6(10)4-14(3,12)13/h5H,4H2,1-3H3,(H,8,10)(H,9,11)
InChIKeyVWIONBWVZWOWIS-UHFFFAOYSA-N
XLogP-1.17
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide?
The IUPAC name of 2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide (CID 156513588) is 2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide.
What is the SMILES notation for 2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide?
The canonical SMILES for 2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide is CC(C)C(=O)NNC(=O)CS(C)(=O)=O.
What is the InChIKey of 2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide?
The InChIKey is VWIONBWVZWOWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-5(2)7(11)9-8-6(10)4-14(3,12)13/h5H,4H2,1-3H3,(H,8,10)(H,9,11).
What are the key properties of 2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide?
2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide has a molecular weight of 222.27 g/mol, XLogP of -1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-methylsulfonylacetyl)propanehydrazide is sourced from PubChem (CID 156513588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).