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

C10H16N2O4S — CID 166662505

IUPACN-ethylsulfonyl-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCCS(=O)(=O)NC(=O)C12CCCC1C(C)=NO2
InChIInChI=1S/C10H16N2O4S/c1-3-17(14,15)12-9(13)10-6-4-5-8(10)7(2)11-16-10/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeySBRNJVYSCFSDID-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.40
Rot. Bonds3

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

N-ethylsulfonyl-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (PubChem CID 166662505) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is N-ethylsulfonyl-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.

Molecular Properties

Compound NameN-ethylsulfonyl-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
PubChem CID166662505
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC NameN-ethylsulfonyl-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCCS(=O)(=O)NC(=O)C12CCCC1C(C)=NO2
InChIInChI=1S/C10H16N2O4S/c1-3-17(14,15)12-9(13)10-6-4-5-8(10)7(2)11-16-10/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeySBRNJVYSCFSDID-UHFFFAOYSA-N
XLogP0.40
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The IUPAC name of N-ethylsulfonyl-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (CID 166662505) is N-ethylsulfonyl-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.
What is the SMILES notation for N-ethylsulfonyl-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The canonical SMILES for N-ethylsulfonyl-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is CCS(=O)(=O)NC(=O)C12CCCC1C(C)=NO2.
What is the InChIKey of N-ethylsulfonyl-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The InChIKey is SBRNJVYSCFSDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-3-17(14,15)12-9(13)10-6-4-5-8(10)7(2)11-16-10/h8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-ethylsulfonyl-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
N-ethylsulfonyl-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide has a molecular weight of 260.31 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is sourced from PubChem (CID 166662505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).