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

C11H19NO8S — CID 10829886

IUPAC[(1R,2S,6S,9R,11R)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate
SMILESC[C@H]1O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
InChIInChI=1S/C11H19NO8S/c1-6-17-7-4-15-11(5-16-21(12,13)14)9(8(7)18-6)19-10(2,3)20-11/h6-9H,4-5H2,1-3H3,(H2,12,13,14)/t6-,7-,8-,9+,11+/m1/s1
InChIKeyRKHFCCCZHCGREZ-CDDJKKQXSA-N
MW325.34 g/mol
LogP-0.79
Rot. Bonds3

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

[(1R,2S,6S,9R,11R)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate (PubChem CID 10829886) has the molecular formula C11H19NO8S and a molecular weight of 325.34 g/mol. Its IUPAC name is [(1R,2S,6S,9R,11R)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate.

Molecular Properties

Compound Name[(1R,2S,6S,9R,11R)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate
PubChem CID10829886
Molecular FormulaC11H19NO8S
Molecular Weight325.34 g/mol
Exact Mass325.08
IUPAC Name[(1R,2S,6S,9R,11R)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate
SMILESC[C@H]1O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
InChIInChI=1S/C11H19NO8S/c1-6-17-7-4-15-11(5-16-21(12,13)14)9(8(7)18-6)19-10(2,3)20-11/h6-9H,4-5H2,1-3H3,(H2,12,13,14)/t6-,7-,8-,9+,11+/m1/s1
InChIKeyRKHFCCCZHCGREZ-CDDJKKQXSA-N
XLogP-0.79
TPSA115.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(1R,2S,6S,9R,11R)-4,4,11-trimethyl-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,11R)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate?
The IUPAC name of [(1R,2S,6S,9R,11R)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate (CID 10829886) is [(1R,2S,6S,9R,11R)-4,4,11-trimethyl-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,11R)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate?
The canonical SMILES for [(1R,2S,6S,9R,11R)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate is C[C@H]1O[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,11R)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate?
The InChIKey is RKHFCCCZHCGREZ-CDDJKKQXSA-N. The full InChI is InChI=1S/C11H19NO8S/c1-6-17-7-4-15-11(5-16-21(12,13)14)9(8(7)18-6)19-10(2,3)20-11/h6-9H,4-5H2,1-3H3,(H2,12,13,14)/t6-,7-,8-,9+,11+/m1/s1.
What are the key properties of [(1R,2S,6S,9R,11R)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate?
[(1R,2S,6S,9R,11R)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate has a molecular weight of 325.34 g/mol, XLogP of -0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,6S,9R,11R)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate is sourced from PubChem (CID 10829886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).