tert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C20H31NO5S — CID 10834634

IUPACtert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H](C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)O1)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H31NO5S/c1-15(14-27(23,24)17-10-8-7-9-11-17)12-16-13-21(20(5,6)25-16)18(22)26-19(2,3)4/h7-11,15-16H,12-14H2,1-6H3/t15-,16+/m0/s1
InChIKeyZLXVUTLFLFEDMK-JKSUJKDBSA-N
MW397.54 g/mol
LogP3.86
Rot. Bonds5

About tert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10834634) has the molecular formula C20H31NO5S and a molecular weight of 397.54 g/mol. Its IUPAC name is tert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10834634
Molecular FormulaC20H31NO5S
Molecular Weight397.54 g/mol
Exact Mass397.19
IUPAC Nametert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H](C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)O1)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H31NO5S/c1-15(14-27(23,24)17-10-8-7-9-11-17)12-16-13-21(20(5,6)25-16)18(22)26-19(2,3)4/h7-11,15-16H,12-14H2,1-6H3/t15-,16+/m0/s1
InChIKeyZLXVUTLFLFEDMK-JKSUJKDBSA-N
XLogP3.86
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl 2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-oxazolidine-3-carboxylate
CID 154881588
tert-butyl (5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 171934913
tert-butyl (5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-oxazolidine-3-carboxylate
CID 178184683
tert-butyl (5S)-5-[[(2R,4S,5S)-3-methoxy-4-[(4-methylphenyl)sulfonylmethyl]-5-(2-oxoethyl)oxolan-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 121342651
tert-butyl 2,2-dimethyl-5-[(2-methylpyrazol-2-ium-1-yl)methyl]-1,3-oxazolidine-3-carboxylate;trifluoromethanesulfonate
CID 175723641
4-(benzenesulfonyl)-3-methylbutan-1-ol
CID 13358237
3-(benzenesulfonyl)-2-methylpropan-1-ol
CID 13480680
tert-butyl (5S)-5-[[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-3-methoxy-5-[[(2R,4R,6S)-4-methyl-3-methylidene-6-[2-[(2S,5R)-3-methylidene-5-[(E)-3-prop-2-enoxyprop-1-enyl]oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 118050347
(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane
CID 11086314
benzyl (5R)-5-[(2S)-2-[[(2S)-3-(5-iodo-2-propan-2-yloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11251279
tert-butyl N-[(2R)-1-(benzenesulfonyl)butan-2-yl]carbamate
CID 11758798
tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate
CID 90383956

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10834634) is tert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C[C@@H](C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)O1)CS(=O)(=O)c1ccccc1.
What is the InChIKey of tert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ZLXVUTLFLFEDMK-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H31NO5S/c1-15(14-27(23,24)17-10-8-7-9-11-17)12-16-13-21(20(5,6)25-16)18(22)26-19(2,3)4/h7-11,15-16H,12-14H2,1-6H3/t15-,16+/m0/s1.
What are the key properties of tert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 397.54 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10834634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).