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

C24H33NO3S — CID 67153035

IUPAC(3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine
SMILESCCSC1O[C@H](C)[C@@H](OCc2ccccc2)[C@H](N(C)C)[C@H]1OCc1ccccc1
InChIInChI=1S/C24H33NO3S/c1-5-29-24-23(27-17-20-14-10-7-11-15-20)21(25(3)4)22(18(2)28-24)26-16-19-12-8-6-9-13-19/h6-15,18,21-24H,5,16-17H2,1-4H3/t18-,21+,22-,23-,24?/m1/s1
InChIKeyFRJUUIARROOJDT-PSCSGYEASA-N
MW415.60 g/mol
LogP4.59
Rot. Bonds9

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

(3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine (PubChem CID 67153035) has the molecular formula C24H33NO3S and a molecular weight of 415.60 g/mol. Its IUPAC name is (3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine.

Molecular Properties

Compound Name(3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine
PubChem CID67153035
Molecular FormulaC24H33NO3S
Molecular Weight415.60 g/mol
Exact Mass415.22
IUPAC Name(3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine
SMILESCCSC1O[C@H](C)[C@@H](OCc2ccccc2)[C@H](N(C)C)[C@H]1OCc1ccccc1
InChIInChI=1S/C24H33NO3S/c1-5-29-24-23(27-17-20-14-10-7-11-15-20)21(25(3)4)22(18(2)28-24)26-16-19-12-8-6-9-13-19/h6-15,18,21-24H,5,16-17H2,1-4H3/t18-,21+,22-,23-,24?/m1/s1
InChIKeyFRJUUIARROOJDT-PSCSGYEASA-N
XLogP4.59
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-methyl-3,5-bis(phenylmethoxy)oxan-4-amine
CID 24827705
(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
(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
[(2S,3R,4S,5S,6R)-4-(dimethylamino)-2-methoxy-6-methyl-5-phenylmethoxyoxan-3-yl] benzoate
CID 71530108
methyl (2S,3S,4S,5R,6S)-6-ethylsulfanyl-3-hydroxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate
CID 102071523
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 (3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine?
The IUPAC name of (3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine (CID 67153035) is (3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine.
What is the SMILES notation for (3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine?
The canonical SMILES for (3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine is CCSC1O[C@H](C)[C@@H](OCc2ccccc2)[C@H](N(C)C)[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine?
The InChIKey is FRJUUIARROOJDT-PSCSGYEASA-N. The full InChI is InChI=1S/C24H33NO3S/c1-5-29-24-23(27-17-20-14-10-7-11-15-20)21(25(3)4)22(18(2)28-24)26-16-19-12-8-6-9-13-19/h6-15,18,21-24H,5,16-17H2,1-4H3/t18-,21+,22-,23-,24?/m1/s1.
What are the key properties of (3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine?
(3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine has a molecular weight of 415.60 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine is sourced from PubChem (CID 67153035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).