3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide

C8H13N3O4S — CID 166662552

IUPAC3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC1=NOC2(C(=O)NS(N)(=O)=O)CCCC12
InChIInChI=1S/C8H13N3O4S/c1-5-6-3-2-4-8(6,15-10-5)7(12)11-16(9,13)14/h6H,2-4H2,1H3,(H,11,12)(H2,9,13,14)
InChIKeyCHBTTZVEZFOXSD-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.75
Rot. Bonds2

About 3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide

3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (PubChem CID 166662552) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.

Molecular Properties

Compound Name3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
PubChem CID166662552
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC1=NOC2(C(=O)NS(N)(=O)=O)CCCC12
InChIInChI=1S/C8H13N3O4S/c1-5-6-3-2-4-8(6,15-10-5)7(12)11-16(9,13)14/h6H,2-4H2,1H3,(H,11,12)(H2,9,13,14)
InChIKeyCHBTTZVEZFOXSD-UHFFFAOYSA-N
XLogP-0.75
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The IUPAC name of 3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (CID 166662552) is 3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.
What is the SMILES notation for 3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The canonical SMILES for 3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is CC1=NOC2(C(=O)NS(N)(=O)=O)CCCC12.
What is the InChIKey of 3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The InChIKey is CHBTTZVEZFOXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-5-6-3-2-4-8(6,15-10-5)7(12)11-16(9,13)14/h6H,2-4H2,1H3,(H,11,12)(H2,9,13,14).
What are the key properties of 3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide has a molecular weight of 247.28 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is sourced from PubChem (CID 166662552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).