ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate

C11H21NO5S — CID 113318541

IUPACethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NCC1CCCC(O)C1
InChIInChI=1S/C11H21NO5S/c1-2-17-11(14)8-18(15,16)12-7-9-4-3-5-10(13)6-9/h9-10,12-13H,2-8H2,1H3
InChIKeyOLEKTHIZMZBEPW-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.02
Rot. Bonds6

About ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate

ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate (PubChem CID 113318541) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate
PubChem CID113318541
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Nameethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NCC1CCCC(O)C1
InChIInChI=1S/C11H21NO5S/c1-2-17-11(14)8-18(15,16)12-7-9-4-3-5-10(13)6-9/h9-10,12-13H,2-8H2,1H3
InChIKeyOLEKTHIZMZBEPW-UHFFFAOYSA-N
XLogP0.02
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
CID 103270353
N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 103697688
ethyl 2-[(1S,3R)-3-hydroxycyclohexyl]acetate;ethyl 2-[(1S,3S)-3-hydroxycyclohexyl]acetate
CID 159851625
N-[(3-hydroxycyclohexyl)methyl]prop-2-ene-1-sulfonamide
CID 106126398
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane
CID 103835757
1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide
CID 106119368
ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate
CID 61457539
ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate
CID 104922331
(3-hydroxycyclohexyl)methyl propanoate
CID 89020573
4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 103835875
ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate
CID 54952527

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate?
The IUPAC name of ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate (CID 113318541) is ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate is CCOC(=O)CS(=O)(=O)NCC1CCCC(O)C1.
What is the InChIKey of ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate?
The InChIKey is OLEKTHIZMZBEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-2-17-11(14)8-18(15,16)12-7-9-4-3-5-10(13)6-9/h9-10,12-13H,2-8H2,1H3.
What are the key properties of ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate?
ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate has a molecular weight of 279.36 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate is sourced from PubChem (CID 113318541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).