methanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide

C8H20N2O6S2 — CID 174387884

IUPACmethanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide
SMILESCC(CCC(=O)NN)CS(C)(=O)=O.CS(=O)(=O)O
InChIInChI=1S/C7H16N2O3S.CH4O3S/c1-6(5-13(2,11)12)3-4-7(10)9-8;1-5(2,3)4/h6H,3-5,8H2,1-2H3,(H,9,10);1H3,(H,2,3,4)
InChIKeyJYXPVNLCLKYNAM-UHFFFAOYSA-N
MW304.39 g/mol
LogP-1.06
Rot. Bonds5

About methanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide

methanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide (PubChem CID 174387884) has the molecular formula C8H20N2O6S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is methanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide.

Molecular Properties

Compound Namemethanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide
PubChem CID174387884
Molecular FormulaC8H20N2O6S2
Molecular Weight304.39 g/mol
Exact Mass304.08
IUPAC Namemethanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide
SMILESCC(CCC(=O)NN)CS(C)(=O)=O.CS(=O)(=O)O
InChIInChI=1S/C7H16N2O3S.CH4O3S/c1-6(5-13(2,11)12)3-4-7(10)9-8;1-5(2,3)4/h6H,3-5,8H2,1-2H3,(H,9,10);1H3,(H,2,3,4)
InChIKeyJYXPVNLCLKYNAM-UHFFFAOYSA-N
XLogP-1.06
TPSA143.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide?
The IUPAC name of methanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide (CID 174387884) is methanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide.
What is the SMILES notation for methanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide?
The canonical SMILES for methanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide is CC(CCC(=O)NN)CS(C)(=O)=O.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide?
The InChIKey is JYXPVNLCLKYNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S.CH4O3S/c1-6(5-13(2,11)12)3-4-7(10)9-8;1-5(2,3)4/h6H,3-5,8H2,1-2H3,(H,9,10);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide?
methanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide has a molecular weight of 304.39 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide is sourced from PubChem (CID 174387884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).