methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate

C10H19NO5S — CID 115867674

IUPACmethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C10H19NO5S/c1-11(8-10(13)5-3-4-6-10)17(14,15)7-9(12)16-2/h13H,3-8H2,1-2H3
InChIKeyYVBKZWJIMDLGPG-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.27
Rot. Bonds5

About methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate

methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate (PubChem CID 115867674) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate
PubChem CID115867674
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Namemethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C10H19NO5S/c1-11(8-10(13)5-3-4-6-10)17(14,15)7-9(12)16-2/h13H,3-8H2,1-2H3
InChIKeyYVBKZWJIMDLGPG-UHFFFAOYSA-N
XLogP-0.27
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate
CID 115867673
N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide
CID 115867632
methyl 2-[2-chloroethyl(methyl)sulfamoyl]acetate
CID 106441931
1-hydroxy-1-[[methyl(methylsulfamoyl)amino]methyl]cyclopentane
CID 114951771
methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate
CID 65213036
methyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate
CID 106441878
N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-2-sulfonamide
CID 115867671
methyl 2-(1-hydroxycyclobutyl)acetate
CID 59069629
3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide
CID 166308359
(2R)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 103840269
methyl 1-[[cyclopropyl(methyl)sulfamoyl]methyl]cyclohexane-1-carboxylate
CID 58947961
1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309110

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate?
The IUPAC name of methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate (CID 115867674) is methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate?
The canonical SMILES for methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate is COC(=O)CS(=O)(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate?
The InChIKey is YVBKZWJIMDLGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-11(8-10(13)5-3-4-6-10)17(14,15)7-9(12)16-2/h13H,3-8H2,1-2H3.
What are the key properties of methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate?
methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate has a molecular weight of 265.33 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate is sourced from PubChem (CID 115867674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).