methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate

C9H18N2O4S — CID 66185019

IUPACmethyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(C)C1CNC1
InChIInChI=1S/C9H18N2O4S/c1-11(8-6-10-7-8)16(13,14)5-3-4-9(12)15-2/h8,10H,3-7H2,1-2H3
InChIKeyRCIMLIIOUXSSMJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.83
Rot. Bonds6

About methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate

methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate (PubChem CID 66185019) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate
PubChem CID66185019
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Namemethyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(C)C1CNC1
InChIInChI=1S/C9H18N2O4S/c1-11(8-6-10-7-8)16(13,14)5-3-4-9(12)15-2/h8,10H,3-7H2,1-2H3
InChIKeyRCIMLIIOUXSSMJ-UHFFFAOYSA-N
XLogP-0.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate (CID 66185019) is methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)N(C)C1CNC1.
What is the InChIKey of methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate?
The InChIKey is RCIMLIIOUXSSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-11(8-6-10-7-8)16(13,14)5-3-4-9(12)15-2/h8,10H,3-7H2,1-2H3.
What are the key properties of methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate?
methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate has a molecular weight of 250.32 g/mol, XLogP of -0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate is sourced from PubChem (CID 66185019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).