methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate

C10H21NO5S — CID 113334739

IUPACmethyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate
SMILESCCC(CC)(CO)CNS(=O)(=O)CC(=O)OC
InChIInChI=1S/C10H21NO5S/c1-4-10(5-2,8-12)7-11-17(14,15)6-9(13)16-3/h11-12H,4-8H2,1-3H3
InChIKeyRAOQUHBMMZAQJR-UHFFFAOYSA-N
MW267.35 g/mol
LogP-0.12
Rot. Bonds8

About methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate

methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate (PubChem CID 113334739) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate
PubChem CID113334739
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Namemethyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate
SMILESCCC(CC)(CO)CNS(=O)(=O)CC(=O)OC
InChIInChI=1S/C10H21NO5S/c1-4-10(5-2,8-12)7-11-17(14,15)6-9(13)16-3/h11-12H,4-8H2,1-3H3
InChIKeyRAOQUHBMMZAQJR-UHFFFAOYSA-N
XLogP-0.12
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide
CID 103844842
ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate
CID 103844785
1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide
CID 106258700
ethyl N-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]carbamate
CID 106253368
3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane
CID 103844834
methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
CID 114383948
2-ethyl-2-[(ethylsulfamoylamino)methyl]butan-1-ol
CID 103844857
methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate
CID 103836410
methyl 2-(5-hydroxypentylsulfamoyl)acetate
CID 107319424
2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol
CID 106253301
methyl 2-(2-methylpropylsulfamoyl)acetate
CID 63928470
2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid
CID 65222422

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate?
The IUPAC name of methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate (CID 113334739) is methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate?
The canonical SMILES for methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate is CCC(CC)(CO)CNS(=O)(=O)CC(=O)OC.
What is the InChIKey of methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate?
The InChIKey is RAOQUHBMMZAQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-4-10(5-2,8-12)7-11-17(14,15)6-9(13)16-3/h11-12H,4-8H2,1-3H3.
What are the key properties of methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate?
methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate has a molecular weight of 267.35 g/mol, XLogP of -0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate is sourced from PubChem (CID 113334739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).