(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine

C22H29NO3S — CID 24827705

IUPAC(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine
SMILESCCS[C@@H]1O[C@H](C)[C@H](OCc2ccccc2)[C@H](N)[C@H]1OCc1ccccc1
InChIInChI=1S/C22H29NO3S/c1-3-27-22-21(25-15-18-12-8-5-9-13-18)19(23)20(16(2)26-22)24-14-17-10-6-4-7-11-17/h4-13,16,19-22H,3,14-15,23H2,1-2H3/t16-,19+,20+,21-,22+/m1/s1
InChIKeySXOWMWDLLCBVKM-UGTAXJHQSA-N
MW387.55 g/mol
LogP3.98
Rot. Bonds8

About (2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine

(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine (PubChem CID 24827705) has the molecular formula C22H29NO3S and a molecular weight of 387.55 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine
PubChem CID24827705
Molecular FormulaC22H29NO3S
Molecular Weight387.55 g/mol
Exact Mass387.19
IUPAC Name(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine
SMILESCCS[C@@H]1O[C@H](C)[C@H](OCc2ccccc2)[C@H](N)[C@H]1OCc1ccccc1
InChIInChI=1S/C22H29NO3S/c1-3-27-22-21(25-15-18-12-8-5-9-13-18)19(23)20(16(2)26-22)24-14-17-10-6-4-7-11-17/h4-13,16,19-22H,3,14-15,23H2,1-2H3/t16-,19+,20+,21-,22+/m1/s1
InChIKeySXOWMWDLLCBVKM-UGTAXJHQSA-N
XLogP3.98
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine with MolForge

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Related Compounds

(3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine
CID 67153035
(2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxane
CID 101480240
[(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate
CID 134841126
(2R,4S,6R)-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-amine
CID 118563862
(2S,3S,4R,5R)-2-ethylsulfanyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 11145046
(2R,3S,4R,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-2-ethylsulfanyl-6-methyloxane
CID 15929758
(2S,3R,4S,5S,6R)-2-ethylsulfanyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11050171
(2S,3R,4R,5S,6R)-2-ethylsulfanyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 67062933
[(3R,6S)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] benzoate
CID 138981486
(1S,4S,6R,7S,8S)-6-ethylsulfanyl-7,8-bis(phenylmethoxy)-2,5-dioxabicyclo[2.2.2]octan-3-one
CID 102399450
(3R,6S)-5-methoxy-2-methyl-6-[(3S,6S)-2-methyl-6-methylsulfanyl-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-4-phenylmethoxyoxan-3-amine
CID 134831113
methyl (2S,3S,4S,5R,6S)-6-ethylsulfanyl-3-methoxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate
CID 10789545

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine?
The IUPAC name of (2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine (CID 24827705) is (2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine is CCS[C@@H]1O[C@H](C)[C@H](OCc2ccccc2)[C@H](N)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine?
The InChIKey is SXOWMWDLLCBVKM-UGTAXJHQSA-N. The full InChI is InChI=1S/C22H29NO3S/c1-3-27-22-21(25-15-18-12-8-5-9-13-18)19(23)20(16(2)26-22)24-14-17-10-6-4-7-11-17/h4-13,16,19-22H,3,14-15,23H2,1-2H3/t16-,19+,20+,21-,22+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine?
(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine has a molecular weight of 387.55 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine is sourced from PubChem (CID 24827705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).