methyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate

C9H17NO4S — CID 61460285

IUPACmethyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(C)C1CC1
InChIInChI=1S/C9H17NO4S/c1-10(8-5-6-8)15(12,13)7-3-4-9(11)14-2/h8H,3-7H2,1-2H3
InChIKeyWEGVGONFNGBBDV-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.36
Rot. Bonds6

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

methyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate (PubChem CID 61460285) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is methyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate
PubChem CID61460285
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Namemethyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(C)C1CC1
InChIInChI=1S/C9H17NO4S/c1-10(8-5-6-8)15(12,13)7-3-4-9(11)14-2/h8H,3-7H2,1-2H3
InChIKeyWEGVGONFNGBBDV-UHFFFAOYSA-N
XLogP0.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 55011178
Methyl 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 61460345
Methyl 4-[pentan-3-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 61460433
Methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate
CID 146442042
Methyl 4-(diethylsulfamoyl)butanoate
CID 33737562
4-[Cyclopropyl(ethyl)sulfamoyl]butanoic acid
CID 43264092
4-[Cyclopropyl(methyl)sulfamoyl]butanoic acid
CID 43264863
4-[Cyclopropyl(propyl)sulfamoyl]butanoic acid
CID 43270295
4-[Butan-2-yl(methyl)sulfamoyl]butanoic acid
CID 43272682
4-[Cyclopropyl(2-methoxyethyl)sulfamoyl]butanoic acid
CID 54876137
4-[Cyclopropyl(2-methylpropyl)sulfamoyl]butanoic acid
CID 54876225
3-[Cyclopropyl-(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoic acid
CID 54951312

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate (CID 61460285) is methyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)N(C)C1CC1.
What is the InChIKey of methyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate?
The InChIKey is WEGVGONFNGBBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-10(8-5-6-8)15(12,13)7-3-4-9(11)14-2/h8H,3-7H2,1-2H3.
What are the key properties of methyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate?
methyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate has a molecular weight of 235.30 g/mol, XLogP of 0.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate is sourced from PubChem (CID 61460285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).