N'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide

C12H22N4O6S2 — CID 167865426

IUPACN'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide
SMILESCCCCCCS(=O)(=O)NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O6S2/c1-4-5-6-7-8-23(19,20)13-14-24(21,22)10-9-15(2)12(18)16(3)11(10)17/h9,13-14H,4-8H2,1-3H3
InChIKeyUHYQWNFOUJJXCP-UHFFFAOYSA-N
MW382.46 g/mol
LogP-1.22
Rot. Bonds9

About N'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide

N'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide (PubChem CID 167865426) has the molecular formula C12H22N4O6S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide.

Molecular Properties

Compound NameN'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide
PubChem CID167865426
Molecular FormulaC12H22N4O6S2
Molecular Weight382.46 g/mol
Exact Mass382.10
IUPAC NameN'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide
SMILESCCCCCCS(=O)(=O)NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O6S2/c1-4-5-6-7-8-23(19,20)13-14-24(21,22)10-9-15(2)12(18)16(3)11(10)17/h9,13-14H,4-8H2,1-3H3
InChIKeyUHYQWNFOUJJXCP-UHFFFAOYSA-N
XLogP-1.22
TPSA136.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide?
The IUPAC name of N'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide (CID 167865426) is N'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide.
What is the SMILES notation for N'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide?
The canonical SMILES for N'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide is CCCCCCS(=O)(=O)NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide?
The InChIKey is UHYQWNFOUJJXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O6S2/c1-4-5-6-7-8-23(19,20)13-14-24(21,22)10-9-15(2)12(18)16(3)11(10)17/h9,13-14H,4-8H2,1-3H3.
What are the key properties of N'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide?
N'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide has a molecular weight of 382.46 g/mol, XLogP of -1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide is sourced from PubChem (CID 167865426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).