ethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate

C10H16N2O5S — CID 166662501

IUPACethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate
SMILESCCOS(=O)(=O)NC(=O)C12CCCC1C(C)=NO2
InChIInChI=1S/C10H16N2O5S/c1-3-16-18(14,15)12-9(13)10-6-4-5-8(10)7(2)11-17-10/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyRBYDTLLDDUODPW-UHFFFAOYSA-N
MW276.31 g/mol
LogP0.33
Rot. Bonds4

About ethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate

ethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate (PubChem CID 166662501) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is ethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate.

Molecular Properties

Compound Nameethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate
PubChem CID166662501
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Nameethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate
SMILESCCOS(=O)(=O)NC(=O)C12CCCC1C(C)=NO2
InChIInChI=1S/C10H16N2O5S/c1-3-16-18(14,15)12-9(13)10-6-4-5-8(10)7(2)11-17-10/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyRBYDTLLDDUODPW-UHFFFAOYSA-N
XLogP0.33
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate?
The IUPAC name of ethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate (CID 166662501) is ethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate.
What is the SMILES notation for ethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate?
The canonical SMILES for ethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate is CCOS(=O)(=O)NC(=O)C12CCCC1C(C)=NO2.
What is the InChIKey of ethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate?
The InChIKey is RBYDTLLDDUODPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-3-16-18(14,15)12-9(13)10-6-4-5-8(10)7(2)11-17-10/h8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of ethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate?
ethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate has a molecular weight of 276.31 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carbonyl)sulfamate is sourced from PubChem (CID 166662501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).