(2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate

C10H12N4O10S2 — CID 118491575

IUPAC(2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate
SMILESC=CS(=O)(=O)N(C(=O)ON)N(C(=O)ON1C(=O)CCC1=O)S(=O)(=O)C=C
InChIInChI=1S/C10H12N4O10S2/c1-3-25(19,20)13(9(17)23-11)14(26(21,22)4-2)10(18)24-12-7(15)5-6-8(12)16/h3-4H,1-2,5-6,11H2
InChIKeyWYXSIKCSHPZIJR-UHFFFAOYSA-N
MW412.36 g/mol
LogP-1.34
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate

(2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate (PubChem CID 118491575) has the molecular formula C10H12N4O10S2 and a molecular weight of 412.36 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate
PubChem CID118491575
Molecular FormulaC10H12N4O10S2
Molecular Weight412.36 g/mol
Exact Mass412.00
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate
SMILESC=CS(=O)(=O)N(C(=O)ON)N(C(=O)ON1C(=O)CCC1=O)S(=O)(=O)C=C
InChIInChI=1S/C10H12N4O10S2/c1-3-25(19,20)13(9(17)23-11)14(26(21,22)4-2)10(18)24-12-7(15)5-6-8(12)16/h3-4H,1-2,5-6,11H2
InChIKeyWYXSIKCSHPZIJR-UHFFFAOYSA-N
XLogP-1.34
TPSA190.76 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.36
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-(ethenylsulfonylmethyl)prop-2-enoate
CID 140966747
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid
CID 174926925
(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen
CID 177137018
(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
CID 58362051
(2,5-dioxopyrrolidin-1-yl) N,N-bis(2-chloroethyl)carbamate
CID 13111905
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxo-4-sulfanylbutane-2-sulfonic acid
CID 142617179
3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxo-1,1-bis(sulfanyl)propane-1-sulfonic acid
CID 57450732
(2,5-dioxopyrrolidin-1-yl) 4-[(ethenylsulfonylamino)methyl]benzoate
CID 101232198
(2,5-dioxopyrrolidin-1-yl) carbamimidate
CID 19742634
N,N-dimethylformamide;(2,5-dioxopyrrolidin-1-yl) 2-aminooxyacetate;hydrochloride
CID 131724605

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate (CID 118491575) is (2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate is C=CS(=O)(=O)N(C(=O)ON)N(C(=O)ON1C(=O)CCC1=O)S(=O)(=O)C=C.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate?
The InChIKey is WYXSIKCSHPZIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O10S2/c1-3-25(19,20)13(9(17)23-11)14(26(21,22)4-2)10(18)24-12-7(15)5-6-8(12)16/h3-4H,1-2,5-6,11H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate?
(2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate has a molecular weight of 412.36 g/mol, XLogP of -1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-[aminooxycarbonyl(ethenylsulfonyl)amino]-N-ethenylsulfonylcarbamate is sourced from PubChem (CID 118491575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).