ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate

C10H19NO5S — CID 104922331

IUPACethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H19NO5S/c1-2-16-10(13)7-17(14,15)11-8-5-3-4-6-9(8)12/h8-9,11-12H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeySEZZEUBEHHDERV-RKDXNWHRSA-N
MW265.33 g/mol
LogP-0.23
Rot. Bonds5

About ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate

ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate (PubChem CID 104922331) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate
PubChem CID104922331
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Nameethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H19NO5S/c1-2-16-10(13)7-17(14,15)11-8-5-3-4-6-9(8)12/h8-9,11-12H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeySEZZEUBEHHDERV-RKDXNWHRSA-N
XLogP-0.23
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 ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818002
ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate
CID 62963269
ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate
CID 61457539
1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
CID 107858977
4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61457089
1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]methanesulfonamide
CID 104953228
2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide
CID 107858968
ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate
CID 113318541
4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid
CID 107216293
1-ethoxy-3-(2-hydroxycyclohexyl)urea
CID 91661385
3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide
CID 107858978
ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate
CID 61457574

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate?
The IUPAC name of ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate (CID 104922331) is ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate?
The InChIKey is SEZZEUBEHHDERV-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-2-16-10(13)7-17(14,15)11-8-5-3-4-6-9(8)12/h8-9,11-12H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate?
ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate has a molecular weight of 265.33 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate is sourced from PubChem (CID 104922331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).