CID 10574106

C18H29NO8S — CID 10574106

IUPAC—
SMILESNS(=O)(=O)OC[C@@]12OC[C@H]3OC4(CCCCC4)O[C@H]3[C@@H]1OC1(CCCCC1)O2
InChIInChI=1S/C18H29NO8S/c19-28(20,21)23-12-18-15(26-17(27-18)9-5-2-6-10-17)14-13(11-22-18)24-16(25-14)7-3-1-4-8-16/h13-15H,1-12H2,(H2,19,20,21)/t13-,14-,15+,18+/m1/s1
InChIKeySOTOYLQDIJLFAI-BSXFFOKHSA-N
MW419.50 g/mol
LogP1.45
Rot. Bonds3

About CID 10574106

CID 10574106 (PubChem CID 10574106) has the molecular formula C18H29NO8S and a molecular weight of 419.50 g/mol.

Molecular Properties

Compound NameCID 10574106
PubChem CID10574106
Molecular FormulaC18H29NO8S
Molecular Weight419.50 g/mol
Exact Mass419.16
IUPAC Name—
SMILESNS(=O)(=O)OC[C@@]12OC[C@H]3OC4(CCCCC4)O[C@H]3[C@@H]1OC1(CCCCC1)O2
InChIInChI=1S/C18H29NO8S/c19-28(20,21)23-12-18-15(26-17(27-18)9-5-2-6-10-17)14-13(11-22-18)24-16(25-14)7-3-1-4-8-16/h13-15H,1-12H2,(H2,19,20,21)/t13-,14-,15+,18+/m1/s1
InChIKeySOTOYLQDIJLFAI-BSXFFOKHSA-N
XLogP1.45
TPSA115.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
[(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
ethane;(4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl)methyl sulfamate
CID 142923351
[(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
(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
[(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
CID 22827171
CID 22827171
(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
[(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

Frequently Asked Questions

What is the IUPAC name of CID 10574106?
The IUPAC name of CID 10574106 (CID 10574106) is not available.
What is the SMILES notation for CID 10574106?
The canonical SMILES for CID 10574106 is NS(=O)(=O)OC[C@@]12OC[C@H]3OC4(CCCCC4)O[C@H]3[C@@H]1OC1(CCCCC1)O2.
What is the InChIKey of CID 10574106?
The InChIKey is SOTOYLQDIJLFAI-BSXFFOKHSA-N. The full InChI is InChI=1S/C18H29NO8S/c19-28(20,21)23-12-18-15(26-17(27-18)9-5-2-6-10-17)14-13(11-22-18)24-16(25-14)7-3-1-4-8-16/h13-15H,1-12H2,(H2,19,20,21)/t13-,14-,15+,18+/m1/s1.
What are the key properties of CID 10574106?
CID 10574106 has a molecular weight of 419.50 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10574106 is sourced from PubChem (CID 10574106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).