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

C11H19N3O4S — CID 167416039

IUPAC3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC(C)(C)C1=NOC2(C(=O)NS(N)(=O)=O)CCCC12
InChIInChI=1S/C11H19N3O4S/c1-10(2,3)8-7-5-4-6-11(7,18-13-8)9(15)14-19(12,16)17/h7H,4-6H2,1-3H3,(H,14,15)(H2,12,16,17)
InChIKeyMYJIRGOJJMLTEH-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.28
Rot. Bonds2

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

3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (PubChem CID 167416039) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
PubChem CID167416039
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC(C)(C)C1=NOC2(C(=O)NS(N)(=O)=O)CCCC12
InChIInChI=1S/C11H19N3O4S/c1-10(2,3)8-7-5-4-6-11(7,18-13-8)9(15)14-19(12,16)17/h7H,4-6H2,1-3H3,(H,14,15)(H2,12,16,17)
InChIKeyMYJIRGOJJMLTEH-UHFFFAOYSA-N
XLogP0.28
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate
CID 166662501
N-ethylsulfonyl-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662505
3-methyl-N-(propan-2-ylsulfamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662547
N-(dimethylsulfamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662548
3-methyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662552
N-[methoxy(methyl)sulfamoyl]-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662617
3-methyl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662618
3-methyl-N-methylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662665
3-Methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662711
3-tert-butyl-N-[methyl(propan-2-yl)sulfamoyl]-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416026
N-[methyl(methylsulfonyl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416078
3-tert-butyl-N-(methylsulfamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416080

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The IUPAC name of 3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (CID 167416039) is 3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The canonical SMILES for 3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is CC(C)(C)C1=NOC2(C(=O)NS(N)(=O)=O)CCCC12.
What is the InChIKey of 3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The InChIKey is MYJIRGOJJMLTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-10(2,3)8-7-5-4-6-11(7,18-13-8)9(15)14-19(12,16)17/h7H,4-6H2,1-3H3,(H,14,15)(H2,12,16,17).
What are the key properties of 3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is sourced from PubChem (CID 167416039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).