methyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate

C9H17NO4S — CID 115634647

IUPACmethyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1(C)CC1
InChIInChI=1S/C9H17NO4S/c1-9(5-6-9)10-15(12,13)7-3-4-8(11)14-2/h10H,3-7H2,1-2H3
InChIKeyCBXRDOWSQDJKOB-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.41
Rot. Bonds6

About methyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate

methyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate (PubChem CID 115634647) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is methyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate
PubChem CID115634647
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Namemethyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1(C)CC1
InChIInChI=1S/C9H17NO4S/c1-9(5-6-9)10-15(12,13)7-3-4-8(11)14-2/h10H,3-7H2,1-2H3
InChIKeyCBXRDOWSQDJKOB-UHFFFAOYSA-N
XLogP0.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate (CID 115634647) is methyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NC1(C)CC1.
What is the InChIKey of methyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate?
The InChIKey is CBXRDOWSQDJKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-9(5-6-9)10-15(12,13)7-3-4-8(11)14-2/h10H,3-7H2,1-2H3.
What are the key properties of methyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate?
methyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate has a molecular weight of 235.30 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methylcyclopropyl)sulfamoyl]butanoate is sourced from PubChem (CID 115634647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).