methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate

C9H17NO5S — CID 115902866

IUPACmethyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1(CO)CC1
InChIInChI=1S/C9H17NO5S/c1-15-8(12)3-2-6-16(13,14)10-9(7-11)4-5-9/h10-11H,2-7H2,1H3
InChIKeyKJAOBXYDNWHSNL-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.62
Rot. Bonds7

About methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate

methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate (PubChem CID 115902866) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate
PubChem CID115902866
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Namemethyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1(CO)CC1
InChIInChI=1S/C9H17NO5S/c1-15-8(12)3-2-6-16(13,14)10-9(7-11)4-5-9/h10-11H,2-7H2,1H3
InChIKeyKJAOBXYDNWHSNL-UHFFFAOYSA-N
XLogP-0.62
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 62552006
N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide
CID 115903061
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290378
N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide
CID 62520965
methyl 4-[(1-hydroxycyclohexyl)methylsulfamoyl]butanoate
CID 65105198
methyl 4-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]butanoate
CID 107271038
4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291951
methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
CID 115881165
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]butanoate
CID 61457714
methyl 4-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]butanoate
CID 115919099
2-[(4-methoxy-4-oxobutyl)sulfonylamino]butanoic acid
CID 54952165
dimethyl pentanedioate;hydrochloride
CID 175168861

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate?
The IUPAC name of methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate (CID 115902866) is methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NC1(CO)CC1.
What is the InChIKey of methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate?
The InChIKey is KJAOBXYDNWHSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-15-8(12)3-2-6-16(13,14)10-9(7-11)4-5-9/h10-11H,2-7H2,1H3.
What are the key properties of methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate?
methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate has a molecular weight of 251.30 g/mol, XLogP of -0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate is sourced from PubChem (CID 115902866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).