2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide

C6H14N4O8S2 — CID 3618199

IUPAC2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide
SMILESCS(=O)(=O)NNC(=O)C(O)C(O)C(=O)NNS(C)(=O)=O
InChIInChI=1S/C6H14N4O8S2/c1-19(15,16)9-7-5(13)3(11)4(12)6(14)8-10-20(2,17)18/h3-4,9-12H,1-2H3,(H,7,13)(H,8,14)
InChIKeyLDRMUBLTZYHESU-UHFFFAOYSA-N
MW334.33 g/mol
LogP-5.13
Rot. Bonds7

About 2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide

2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide (PubChem CID 3618199) has the molecular formula C6H14N4O8S2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide.

Molecular Properties

Compound Name2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide
PubChem CID3618199
Molecular FormulaC6H14N4O8S2
Molecular Weight334.33 g/mol
Exact Mass334.03
IUPAC Name2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide
SMILESCS(=O)(=O)NNC(=O)C(O)C(O)C(=O)NNS(C)(=O)=O
InChIInChI=1S/C6H14N4O8S2/c1-19(15,16)9-7-5(13)3(11)4(12)6(14)8-10-20(2,17)18/h3-4,9-12H,1-2H3,(H,7,13)(H,8,14)
InChIKeyLDRMUBLTZYHESU-UHFFFAOYSA-N
XLogP-5.13
TPSA191.00 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.33
LogP ≤ 5-5.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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 2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide?
The IUPAC name of 2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide (CID 3618199) is 2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide.
What is the SMILES notation for 2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide?
The canonical SMILES for 2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide is CS(=O)(=O)NNC(=O)C(O)C(O)C(=O)NNS(C)(=O)=O.
What is the InChIKey of 2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide?
The InChIKey is LDRMUBLTZYHESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O8S2/c1-19(15,16)9-7-5(13)3(11)4(12)6(14)8-10-20(2,17)18/h3-4,9-12H,1-2H3,(H,7,13)(H,8,14).
What are the key properties of 2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide?
2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide has a molecular weight of 334.33 g/mol, XLogP of -5.13, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-1-N',4-N'-bis(methylsulfonyl)butanedihydrazide is sourced from PubChem (CID 3618199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).