N-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide

C30H37NO5S — CID 132821800

IUPACN-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C30H37NO5S/c1-30(2,3)37(32)31-29-28(35-21-25-17-11-6-12-18-25)27(34-20-24-15-9-5-10-16-24)26(36-29)22-33-19-23-13-7-4-8-14-23/h4-18,26-29,31H,19-22H2,1-3H3/t26-,27-,28-,29?,37?/m1/s1
InChIKeyWFRZSLCFIWNYOK-STDWXVBVSA-N
MW523.70 g/mol
LogP5.15
Rot. Bonds12

About N-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide

N-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 132821800) has the molecular formula C30H37NO5S and a molecular weight of 523.70 g/mol. Its IUPAC name is N-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID132821800
Molecular FormulaC30H37NO5S
Molecular Weight523.70 g/mol
Exact Mass523.24
IUPAC NameN-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C30H37NO5S/c1-30(2,3)37(32)31-29-28(35-21-25-17-11-6-12-18-25)27(34-20-24-15-9-5-10-16-24)26(36-29)22-33-19-23-13-7-4-8-14-23/h4-18,26-29,31H,19-22H2,1-3H3/t26-,27-,28-,29?,37?/m1/s1
InChIKeyWFRZSLCFIWNYOK-STDWXVBVSA-N
XLogP5.15
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.70
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
N-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 10627095
1-benzyl-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]urea
CID 102255225
N-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]benzamide
CID 132990345
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
N-[(2S,3S,4S,5R,6R)-3-iodo-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 132563700
N-[(2R,3S,4S,5R,6R)-3-chloro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 23730048
(2R,3R,4R,5S,6R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde
CID 11091791
(2S,3R,4R,5R,6R)-2-(2-hydroxypropan-2-yl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 101203720
(3S,4S,5R,6R)-2-(benzenesulfinyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 152748435
(2S,3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 14039722
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 11743535

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide (CID 132821800) is N-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of N-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is WFRZSLCFIWNYOK-STDWXVBVSA-N. The full InChI is InChI=1S/C30H37NO5S/c1-30(2,3)37(32)31-29-28(35-21-25-17-11-6-12-18-25)27(34-20-24-15-9-5-10-16-24)26(36-29)22-33-19-23-13-7-4-8-14-23/h4-18,26-29,31H,19-22H2,1-3H3/t26-,27-,28-,29?,37?/m1/s1.
What are the key properties of N-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide?
N-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 523.70 g/mol, XLogP of 5.15, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 132821800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).