1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide

C10H9N3O4S — CID 175983640

IUPAC1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide
SMILESNC(=O)c1cnc2c(c1)S(=O)(=O)N=CC1(CC1)O2
InChIInChI=1S/C10H9N3O4S/c11-8(14)6-3-7-9(12-4-6)17-10(1-2-10)5-13-18(7,15)16/h3-5H,1-2H2,(H2,11,14)
InChIKeyMULWUKDQMBNFFH-UHFFFAOYSA-N
MW267.27 g/mol
LogP-0.14
Rot. Bonds1

About 1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide

1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide (PubChem CID 175983640) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide.

Molecular Properties

Compound Name1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide
PubChem CID175983640
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide
SMILESNC(=O)c1cnc2c(c1)S(=O)(=O)N=CC1(CC1)O2
InChIInChI=1S/C10H9N3O4S/c11-8(14)6-3-7-9(12-4-6)17-10(1-2-10)5-13-18(7,15)16/h3-5H,1-2H2,(H2,11,14)
InChIKeyMULWUKDQMBNFFH-UHFFFAOYSA-N
XLogP-0.14
TPSA111.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide with MolForge

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Related Compounds

6-{[1-(4-Fluorobenzenesulfonyl)piperidin-4-YL]oxy}pyridine-3-carboxamide
CID 91904367
N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 45829175
N-(4-ethoxyphenyl)sulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 52636494
6-[1-(3-Fluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide
CID 91914143
5-(Dimethylsulfamoyl)-2-ethoxypyridine-3-carbonyl chloride
CID 18756174
3-[(5-acetyl-2-pyridinyl)oxy]-N-methylbenzenesulfonamide
CID 57658212
4-[(5-acetyl-2-pyridinyl)oxy]-N-methylbenzenesulfonamide
CID 57658242
2-(Oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide
CID 67169011
[5-(Benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate
CID 67749507
Ethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate
CID 70033053
5-(4-Ethylpiperazin-1-yl)sulfonyl-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 141012525
2-Ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide
CID 141012529

Frequently Asked Questions

What is the IUPAC name of 1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide?
The IUPAC name of 1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide (CID 175983640) is 1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide.
What is the SMILES notation for 1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide?
The canonical SMILES for 1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide is NC(=O)c1cnc2c(c1)S(=O)(=O)N=CC1(CC1)O2.
What is the InChIKey of 1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide?
The InChIKey is MULWUKDQMBNFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c11-8(14)6-3-7-9(12-4-6)17-10(1-2-10)5-13-18(7,15)16/h3-5H,1-2H2,(H2,11,14).
What are the key properties of 1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide?
1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide has a molecular weight of 267.27 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1'-dioxospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepine]-8'-carboxamide is sourced from PubChem (CID 175983640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).