methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate

C8H15NO5S — CID 115455371

IUPACmethyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCC1(CO)CC1
InChIInChI=1S/C8H15NO5S/c1-14-7(11)4-15(12,13)9-5-8(6-10)2-3-8/h9-10H,2-6H2,1H3
InChIKeySWBQMAOCQLJFSF-UHFFFAOYSA-N
MW237.28 g/mol
LogP-1.15
Rot. Bonds6

About methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate

methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate (PubChem CID 115455371) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate
PubChem CID115455371
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Namemethyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCC1(CO)CC1
InChIInChI=1S/C8H15NO5S/c1-14-7(11)4-15(12,13)9-5-8(6-10)2-3-8/h9-10H,2-6H2,1H3
InChIKeySWBQMAOCQLJFSF-UHFFFAOYSA-N
XLogP-1.15
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309110
2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid
CID 114755967
2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164883
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate
CID 115455438
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide
CID 114749822
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate
CID 103969014
methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540
methyl 2-(5-hydroxypentylsulfamoyl)acetate
CID 107319424
1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 61358172
N-[[1-(hydroxymethyl)cyclopropyl]methyl]but-3-ene-1-sulfonamide
CID 75431338
methyl 2-(2-methylpropylsulfamoyl)acetate
CID 63928470
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate?
The IUPAC name of methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate (CID 115455371) is methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate.
What is the SMILES notation for methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate?
The canonical SMILES for methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate is COC(=O)CS(=O)(=O)NCC1(CO)CC1.
What is the InChIKey of methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate?
The InChIKey is SWBQMAOCQLJFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-14-7(11)4-15(12,13)9-5-8(6-10)2-3-8/h9-10H,2-6H2,1H3.
What are the key properties of methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate?
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate has a molecular weight of 237.28 g/mol, XLogP of -1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate is sourced from PubChem (CID 115455371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).