tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate

C11H22N2O5S — CID 89440433

IUPACtert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate
SMILESCN(C)C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O5S/c1-11(2,3)18-10(15)12-8(7-19(6,16)17)9(14)13(4)5/h8H,7H2,1-6H3,(H,12,15)/t8-/m0/s1
InChIKeyMATNWFRGABIXKI-QMMMGPOBSA-N
MW294.37 g/mol
LogP0.01
Rot. Bonds4

About tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate (PubChem CID 89440433) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate
PubChem CID89440433
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Nametert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate
SMILESCN(C)C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O5S/c1-11(2,3)18-10(15)12-8(7-19(6,16)17)9(14)13(4)5/h8H,7H2,1-6H3,(H,12,15)/t8-/m0/s1
InChIKeyMATNWFRGABIXKI-QMMMGPOBSA-N
XLogP0.01
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
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tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate
CID 87125447
tert-butyl N-[3-cyclobutyl-1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 58987170
tert-butyl N-[1-(1-cyanoethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate
CID 87927484
tert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate
CID 59111391
tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonylpropan-2-yl]carbamate;(2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine;hydrochloride
CID 160872736
(2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropane-1-sulfonic acid
CID 12872547
3-fluorosulfonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 139806912
methyl 5-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 85196754
methyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 175539405
tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate;methanesulfonic acid
CID 86663657
tert-butyl N-[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]carbamate
CID 7034344

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate (CID 89440433) is tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate is CN(C)C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate?
The InChIKey is MATNWFRGABIXKI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-11(2,3)18-10(15)12-8(7-19(6,16)17)9(14)13(4)5/h8H,7H2,1-6H3,(H,12,15)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate has a molecular weight of 294.37 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 89440433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).