N'-methylsulfonylpropane-2-sulfonohydrazide

C4H12N2O4S2 — CID 57300851

IUPACN'-methylsulfonylpropane-2-sulfonohydrazide
SMILESCC(C)S(=O)(=O)NNS(C)(=O)=O
InChIInChI=1S/C4H12N2O4S2/c1-4(2)12(9,10)6-5-11(3,7)8/h4-6H,1-3H3
InChIKeyXNSOGHITRKEHDA-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.22
Rot. Bonds4

About N'-methylsulfonylpropane-2-sulfonohydrazide

N'-methylsulfonylpropane-2-sulfonohydrazide (PubChem CID 57300851) has the molecular formula C4H12N2O4S2 and a molecular weight of 216.28 g/mol. Its IUPAC name is N'-methylsulfonylpropane-2-sulfonohydrazide.

Molecular Properties

Compound NameN'-methylsulfonylpropane-2-sulfonohydrazide
PubChem CID57300851
Molecular FormulaC4H12N2O4S2
Molecular Weight216.28 g/mol
Exact Mass216.02
IUPAC NameN'-methylsulfonylpropane-2-sulfonohydrazide
SMILESCC(C)S(=O)(=O)NNS(C)(=O)=O
InChIInChI=1S/C4H12N2O4S2/c1-4(2)12(9,10)6-5-11(3,7)8/h4-6H,1-3H3
InChIKeyXNSOGHITRKEHDA-UHFFFAOYSA-N
XLogP-1.22
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.22
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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Related Compounds

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CID 160921753
CID 160921753
imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane
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Frequently Asked Questions

What is the IUPAC name of N'-methylsulfonylpropane-2-sulfonohydrazide?
The IUPAC name of N'-methylsulfonylpropane-2-sulfonohydrazide (CID 57300851) is N'-methylsulfonylpropane-2-sulfonohydrazide.
What is the SMILES notation for N'-methylsulfonylpropane-2-sulfonohydrazide?
The canonical SMILES for N'-methylsulfonylpropane-2-sulfonohydrazide is CC(C)S(=O)(=O)NNS(C)(=O)=O.
What is the InChIKey of N'-methylsulfonylpropane-2-sulfonohydrazide?
The InChIKey is XNSOGHITRKEHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O4S2/c1-4(2)12(9,10)6-5-11(3,7)8/h4-6H,1-3H3.
What are the key properties of N'-methylsulfonylpropane-2-sulfonohydrazide?
N'-methylsulfonylpropane-2-sulfonohydrazide has a molecular weight of 216.28 g/mol, XLogP of -1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylsulfonylpropane-2-sulfonohydrazide is sourced from PubChem (CID 57300851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).