[(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate

C14H25NO8S — CID 10785183

IUPAC[(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate
SMILESCCC1(CC)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
InChIInChI=1S/C14H25NO8S/c1-5-13(6-2)20-9-7-18-14(8-19-24(15,16)17)11(10(9)21-13)22-12(3,4)23-14/h9-11H,5-8H2,1-4H3,(H2,15,16,17)/t9-,10-,11+,14+/m1/s1
InChIKeyOAFZZERJQSUBHO-PUHVVEEASA-N
MW367.42 g/mol
LogP0.38
Rot. Bonds5

About [(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate

[(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate (PubChem CID 10785183) has the molecular formula C14H25NO8S and a molecular weight of 367.42 g/mol. Its IUPAC name is [(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate.

Molecular Properties

Compound Name[(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate
PubChem CID10785183
Molecular FormulaC14H25NO8S
Molecular Weight367.42 g/mol
Exact Mass367.13
IUPAC Name[(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate
SMILESCCC1(CC)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
InChIInChI=1S/C14H25NO8S/c1-5-13(6-2)20-9-7-18-14(8-19-24(15,16)17)11(10(9)21-13)22-12(3,4)23-14/h9-11H,5-8H2,1-4H3,(H2,15,16,17)/t9-,10-,11+,14+/m1/s1
InChIKeyOAFZZERJQSUBHO-PUHVVEEASA-N
XLogP0.38
TPSA115.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate?
The IUPAC name of [(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate (CID 10785183) is [(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate.
What is the SMILES notation for [(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate?
The canonical SMILES for [(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate is CCC1(CC)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1.
What is the InChIKey of [(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate?
The InChIKey is OAFZZERJQSUBHO-PUHVVEEASA-N. The full InChI is InChI=1S/C14H25NO8S/c1-5-13(6-2)20-9-7-18-14(8-19-24(15,16)17)11(10(9)21-13)22-12(3,4)23-14/h9-11H,5-8H2,1-4H3,(H2,15,16,17)/t9-,10-,11+,14+/m1/s1.
What are the key properties of [(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate?
[(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate has a molecular weight of 367.42 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,6S,9R)-11,11-diethyl-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate is sourced from PubChem (CID 10785183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).