propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate

C11H22N2O6S — CID 114779182

IUPACpropan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C11H22N2O6S/c1-8(2)18-10(15)12-20(16,17)13-5-9(6-14)19-11(3,4)7-13/h8-9,14H,5-7H2,1-4H3,(H,12,15)
InChIKeyMIGRELDDQMLJEI-UHFFFAOYSA-N
MW310.37 g/mol
LogP-0.16
Rot. Bonds4

About propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate

propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate (PubChem CID 114779182) has the molecular formula C11H22N2O6S and a molecular weight of 310.37 g/mol. Its IUPAC name is propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate
PubChem CID114779182
Molecular FormulaC11H22N2O6S
Molecular Weight310.37 g/mol
Exact Mass310.12
IUPAC Namepropan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C11H22N2O6S/c1-8(2)18-10(15)12-20(16,17)13-5-9(6-14)19-11(3,4)7-13/h8-9,14H,5-7H2,1-4H3,(H,12,15)
InChIKeyMIGRELDDQMLJEI-UHFFFAOYSA-N
XLogP-0.16
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate
CID 114464288
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate
CID 114779073
(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
CID 114779112
propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate
CID 114464921
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate
CID 114777322
ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate
CID 114779075
propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate
CID 107389934
propan-2-yl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464141
propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
CID 102786595
5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 114776516
[4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779082

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate?
The IUPAC name of propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate (CID 114779182) is propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate is CC(C)OC(=O)NS(=O)(=O)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate?
The InChIKey is MIGRELDDQMLJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6S/c1-8(2)18-10(15)12-20(16,17)13-5-9(6-14)19-11(3,4)7-13/h8-9,14H,5-7H2,1-4H3,(H,12,15).
What are the key properties of propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate?
propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate has a molecular weight of 310.37 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate is sourced from PubChem (CID 114779182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).