methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate

C10H19NO5S — CID 113340135

IUPACmethyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NC1CCCCC1CO
InChIInChI=1S/C10H19NO5S/c1-16-10(13)7-17(14,15)11-9-5-3-2-4-8(9)6-12/h8-9,11-12H,2-7H2,1H3
InChIKeyVKGWRMAWLLROFK-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.37
Rot. Bonds5

About methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate

methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate (PubChem CID 113340135) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate
PubChem CID113340135
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Namemethyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NC1CCCCC1CO
InChIInChI=1S/C10H19NO5S/c1-16-10(13)7-17(14,15)11-9-5-3-2-4-8(9)6-12/h8-9,11-12H,2-7H2,1H3
InChIKeyVKGWRMAWLLROFK-UHFFFAOYSA-N
XLogP-0.37
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide
CID 86708972
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 97246599
methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate
CID 113318668
1-cyclohexyl-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697794
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide
CID 106364650
ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate
CID 104922331
N-[2-(hydroxymethyl)cyclopentyl]cyclopropanesulfonamide
CID 103835909
methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
CID 130640113
dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol
CID 163689095
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818002
1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid
CID 106359363

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate?
The IUPAC name of methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate (CID 113340135) is methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate?
The canonical SMILES for methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate is COC(=O)CS(=O)(=O)NC1CCCCC1CO.
What is the InChIKey of methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate?
The InChIKey is VKGWRMAWLLROFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-16-10(13)7-17(14,15)11-9-5-3-2-4-8(9)6-12/h8-9,11-12H,2-7H2,1H3.
What are the key properties of methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate?
methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate has a molecular weight of 265.33 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate is sourced from PubChem (CID 113340135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).