(2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine

C20H35NO2SSi — CID 101101693

IUPAC(2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine
SMILESCC[Si](CC)(CC)O[C@H]1CC(Sc2ccccc2)O[C@@H](C)[C@H]1N(C)C
InChIInChI=1S/C20H35NO2SSi/c1-7-25(8-2,9-3)23-18-15-19(22-16(4)20(18)21(5)6)24-17-13-11-10-12-14-17/h10-14,16,18-20H,7-9,15H2,1-6H3/t16-,18-,19?,20+/m0/s1
InChIKeyNAUNNUCBGMKUQC-UDLHLFEOSA-N
MW381.66 g/mol
LogP5.23
Rot. Bonds8

About (2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine

(2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine (PubChem CID 101101693) has the molecular formula C20H35NO2SSi and a molecular weight of 381.66 g/mol. Its IUPAC name is (2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine.

Molecular Properties

Compound Name(2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine
PubChem CID101101693
Molecular FormulaC20H35NO2SSi
Molecular Weight381.66 g/mol
Exact Mass381.22
IUPAC Name(2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine
SMILESCC[Si](CC)(CC)O[C@H]1CC(Sc2ccccc2)O[C@@H](C)[C@H]1N(C)C
InChIInChI=1S/C20H35NO2SSi/c1-7-25(8-2,9-3)23-18-15-19(22-16(4)20(18)21(5)6)24-17-13-11-10-12-14-17/h10-14,16,18-20H,7-9,15H2,1-6H3/t16-,18-,19?,20+/m0/s1
InChIKeyNAUNNUCBGMKUQC-UDLHLFEOSA-N
XLogP5.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.66
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane
CID 135022444
tert-butyl-dimethyl-[(2R,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxysilane
CID 73292656
(2S,3R,6S)-2-methyl-6-phenylsulfanyloxan-3-ol
CID 143275725
(2-methyl-6-phenylsulfanyloxan-3-yl) acetate
CID 58766983
(2S,3R,4R)-2,4-dimethyl-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxane
CID 11316480
(3R,4S,5S,6R)-2-ethylsulfanyl-N,N,6-trimethyl-3,5-bis(phenylmethoxy)oxan-4-amine
CID 67153035
2-[(2S,4S,6S)-4-methoxy-6-phenylsulfanyloxan-2-yl]acetic acid
CID 100971404
(4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
CID 126612117
[(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol
CID 10893744
(2R,4aR,6S,8R,8aS)-8-ethoxy-2-phenyl-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 70904884
tert-butyl-dimethyl-[[(2S,5R)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
CID 102383882
[(2R,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-6-phenylsulfanyloxan-2-yl]methanol
CID 25137433

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine?
The IUPAC name of (2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine (CID 101101693) is (2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine.
What is the SMILES notation for (2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine?
The canonical SMILES for (2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine is CC[Si](CC)(CC)O[C@H]1CC(Sc2ccccc2)O[C@@H](C)[C@H]1N(C)C.
What is the InChIKey of (2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine?
The InChIKey is NAUNNUCBGMKUQC-UDLHLFEOSA-N. The full InChI is InChI=1S/C20H35NO2SSi/c1-7-25(8-2,9-3)23-18-15-19(22-16(4)20(18)21(5)6)24-17-13-11-10-12-14-17/h10-14,16,18-20H,7-9,15H2,1-6H3/t16-,18-,19?,20+/m0/s1.
What are the key properties of (2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine?
(2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine has a molecular weight of 381.66 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-N,N,2-trimethyl-6-phenylsulfanyl-4-triethylsilyloxyoxan-3-amine is sourced from PubChem (CID 101101693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).