methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate

C11H22N2O5S — CID 113318668

IUPACmethyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NC1CCCC1CO
InChIInChI=1S/C11H22N2O5S/c1-13(7-6-11(15)18-2)19(16,17)12-10-5-3-4-9(10)8-14/h9-10,12,14H,3-8H2,1-2H3
InChIKeyBPEZBKBRQGSVHA-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.52
Rot. Bonds7

About methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate

methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate (PubChem CID 113318668) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate
PubChem CID113318668
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Namemethyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NC1CCCC1CO
InChIInChI=1S/C11H22N2O5S/c1-13(7-6-11(15)18-2)19(16,17)12-10-5-3-4-9(10)8-14/h9-10,12,14H,3-8H2,1-2H3
InChIKeyBPEZBKBRQGSVHA-UHFFFAOYSA-N
XLogP-0.52
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate
CID 113340135
[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene
CID 103835998
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
methyl 3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-methylamino]propanoate
CID 103834182
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate
CID 83004152
methyl 3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl-methylamino]propanoate
CID 81039043
N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide
CID 86708972
methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
CID 130640113
N-[2-(hydroxymethyl)cyclopentyl]cyclopropanesulfonamide
CID 103835909
N-[2-(hydroxymethyl)cyclopentyl]-3-methylsulfonylpropanamide
CID 103822602

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate?
The IUPAC name of methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate (CID 113318668) is methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate is COC(=O)CCN(C)S(=O)(=O)NC1CCCC1CO.
What is the InChIKey of methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate?
The InChIKey is BPEZBKBRQGSVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-13(7-6-11(15)18-2)19(16,17)12-10-5-3-4-9(10)8-14/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate?
methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate has a molecular weight of 294.37 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate is sourced from PubChem (CID 113318668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).