[(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate

C11H21NO8SSi — CID 10713205

IUPAC[(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate
SMILESCC1(C)O[C@H]2[C@@H]3O[Si](C)(C)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
InChIInChI=1S/C11H21NO8SSi/c1-10(2)17-9-8-7(18-22(3,4)19-8)5-15-11(9,20-10)6-16-21(12,13)14/h7-9H,5-6H2,1-4H3,(H2,12,13,14)/t7-,8-,9+,11+/m1/s1
InChIKeyKBDGZILPBVHTSP-REIXXSIJSA-N
MW355.44 g/mol
LogP-0.43
Rot. Bonds3

About [(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate

[(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate (PubChem CID 10713205) has the molecular formula C11H21NO8SSi and a molecular weight of 355.44 g/mol. Its IUPAC name is [(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate.

Molecular Properties

Compound Name[(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate
PubChem CID10713205
Molecular FormulaC11H21NO8SSi
Molecular Weight355.44 g/mol
Exact Mass355.08
IUPAC Name[(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate
SMILESCC1(C)O[C@H]2[C@@H]3O[Si](C)(C)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
InChIInChI=1S/C11H21NO8SSi/c1-10(2)17-9-8-7(18-22(3,4)19-8)5-15-11(9,20-10)6-16-21(12,13)14/h7-9H,5-6H2,1-4H3,(H2,12,13,14)/t7-,8-,9+,11+/m1/s1
InChIKeyKBDGZILPBVHTSP-REIXXSIJSA-N
XLogP-0.43
TPSA115.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate
CID 16757856
[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate;zinc
CID 87438940
ethane;(4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl)methyl sulfamate
CID 142923351
[(1R,2S,6S,9R,11S)-11-ethoxy-4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate
CID 10498387
[(6S,11S)-11-(hydroxymethyl)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate
CID 171035489
[11-(hydroxymethyl)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate
CID 74603316
(11,11-dimethyl-4,4-dioxo-3,5,8,10,12-pentaoxa-4lambda6-thiatricyclo[7.3.0.02,6]dodecan-9-yl)methyl sulfamate
CID 5331
[(3aS,6R,7R,7aS)-6,7-dihydroxy-2,2-dimethyl-5,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-3a-yl]methyl sulfamate
CID 10626041
(1R,2S,6S,9R)-6-(chlorosulfonyloxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 10872063
(1S,2R,6R,9R)-6-(chlorosulfonyloxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 56846359
tert-butyl (NE)-N-[(1S,2S,4S,6R,9S)-11,11-dimethyl-9-(sulfamoyloxymethyl)-3,5,8,10,12-pentaoxa-4λ4-thiatricyclo[7.3.0.02,6]dodecan-4-ylidene]carbamate
CID 10623153
CID 10574106
CID 10574106

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate?
The IUPAC name of [(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate (CID 10713205) is [(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate.
What is the SMILES notation for [(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate?
The canonical SMILES for [(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate is CC1(C)O[C@H]2[C@@H]3O[Si](C)(C)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1.
What is the InChIKey of [(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate?
The InChIKey is KBDGZILPBVHTSP-REIXXSIJSA-N. The full InChI is InChI=1S/C11H21NO8SSi/c1-10(2)17-9-8-7(18-22(3,4)19-8)5-15-11(9,20-10)6-16-21(12,13)14/h7-9H,5-6H2,1-4H3,(H2,12,13,14)/t7-,8-,9+,11+/m1/s1.
What are the key properties of [(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate?
[(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate has a molecular weight of 355.44 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,6R,9S)-4,4,11,11-tetramethyl-3,5,8,10,12-pentaoxa-4-silatricyclo[7.3.0.02,6]dodecan-9-yl]methyl sulfamate is sourced from PubChem (CID 10713205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).