pyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate

C10H9N3O5S — CID 87668895

IUPACpyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate
SMILESO=C(Oc1cccnc1)N(SO)N1C(=O)CCC1=O
InChIInChI=1S/C10H9N3O5S/c14-8-3-4-9(15)12(8)13(19-17)10(16)18-7-2-1-5-11-6-7/h1-2,5-6,17H,3-4H2
InChIKeyMHEYXJMGUBMHBJ-UHFFFAOYSA-N
MW283.26 g/mol
LogP1.07
Rot. Bonds3

About pyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate

pyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate (PubChem CID 87668895) has the molecular formula C10H9N3O5S and a molecular weight of 283.26 g/mol. Its IUPAC name is pyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate.

Molecular Properties

Compound Namepyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate
PubChem CID87668895
Molecular FormulaC10H9N3O5S
Molecular Weight283.26 g/mol
Exact Mass283.03
IUPAC Namepyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate
SMILESO=C(Oc1cccnc1)N(SO)N1C(=O)CCC1=O
InChIInChI=1S/C10H9N3O5S/c14-8-3-4-9(15)12(8)13(19-17)10(16)18-7-2-1-5-11-6-7/h1-2,5-6,17H,3-4H2
InChIKeyMHEYXJMGUBMHBJ-UHFFFAOYSA-N
XLogP1.07
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) pyridin-3-yl carbonate
CID 87409322
(2,5-dioxopyrrolidin-1-yl) (2,3,4,5,6-13C5)pyridine-3-carboxylate
CID 71308877
tripyridin-3-yl benzene-1,3,5-tricarboxylate
CID 102031459
1-(2-pyridin-3-yloxyethyl)pyrrolidine-2,5-dione
CID 143380588
pyridin-3-yl 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 117125989
1-pyridin-3-ylpyrrolidine-2,5-dione
CID 2737832
pyridin-3-yl cyclohexanecarboxylate
CID 151250371
4-oxo-4-pyridin-3-yloxybut-2-enoic acid
CID 57184664
2-(2,5-dioxopyrrolidin-1-yl)-2-pyridin-3-ylpropanoic acid
CID 114989812
S-(2-oxoazetidin-1-yl) pyridine-3-carbothioate
CID 158660231
pyridin-3-yl 2-pyridin-3-ylacetate
CID 142079829
butane;pyridin-3-yl carbamate
CID 69137647

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate?
The IUPAC name of pyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate (CID 87668895) is pyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate.
What is the SMILES notation for pyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate?
The canonical SMILES for pyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate is O=C(Oc1cccnc1)N(SO)N1C(=O)CCC1=O.
What is the InChIKey of pyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate?
The InChIKey is MHEYXJMGUBMHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5S/c14-8-3-4-9(15)12(8)13(19-17)10(16)18-7-2-1-5-11-6-7/h1-2,5-6,17H,3-4H2.
What are the key properties of pyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate?
pyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate has a molecular weight of 283.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl N-(2,5-dioxopyrrolidin-1-yl)-N-hydroxysulfanylcarbamate is sourced from PubChem (CID 87668895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).