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

C15H27N3O4S — CID 167416139

IUPACN-methyl-N-[methyl(propan-2-yl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC(C)C1=NOC2(C(=O)N(C)S(=O)(=O)N(C)C(C)C)CCCC12
InChIInChI=1S/C15H27N3O4S/c1-10(2)13-12-8-7-9-15(12,22-16-13)14(19)18(6)23(20,21)17(5)11(3)4/h10-12H,7-9H2,1-6H3
InChIKeyVQNRWIFCXRVNGU-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.61
Rot. Bonds5

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

N-methyl-N-[methyl(propan-2-yl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (PubChem CID 167416139) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-methyl-N-[methyl(propan-2-yl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[methyl(propan-2-yl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
PubChem CID167416139
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC NameN-methyl-N-[methyl(propan-2-yl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC(C)C1=NOC2(C(=O)N(C)S(=O)(=O)N(C)C(C)C)CCCC12
InChIInChI=1S/C15H27N3O4S/c1-10(2)13-12-8-7-9-15(12,22-16-13)14(19)18(6)23(20,21)17(5)11(3)4/h10-12H,7-9H2,1-6H3
InChIKeyVQNRWIFCXRVNGU-UHFFFAOYSA-N
XLogP1.61
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
N-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662709
3-tert-butyl-N-[methyl(propan-2-yl)sulfamoyl]-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416026
3-tert-butyl-N-sulfamoyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416039
N,N-dimethyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416075
3-tert-butyl-N-(methylsulfamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416080
3-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416098
N-methyl-3-propan-2-yl-N-prop-2-ynyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416142
3-tert-butyl-N-(dimethylsulfamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416158

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[methyl(propan-2-yl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The IUPAC name of N-methyl-N-[methyl(propan-2-yl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (CID 167416139) is N-methyl-N-[methyl(propan-2-yl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.
What is the SMILES notation for N-methyl-N-[methyl(propan-2-yl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The canonical SMILES for N-methyl-N-[methyl(propan-2-yl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is CC(C)C1=NOC2(C(=O)N(C)S(=O)(=O)N(C)C(C)C)CCCC12.
What is the InChIKey of N-methyl-N-[methyl(propan-2-yl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The InChIKey is VQNRWIFCXRVNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-10(2)13-12-8-7-9-15(12,22-16-13)14(19)18(6)23(20,21)17(5)11(3)4/h10-12H,7-9H2,1-6H3.
What are the key properties of N-methyl-N-[methyl(propan-2-yl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
N-methyl-N-[methyl(propan-2-yl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methyl(propan-2-yl)sulfamoyl]-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is sourced from PubChem (CID 167416139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).