methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate

C10H20N2O4S — CID 114696700

IUPACmethyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC1(C)CCNCC1
InChIInChI=1S/C10H20N2O4S/c1-8(9(13)16-3)17(14,15)12-10(2)4-6-11-7-5-10/h8,11-12H,4-7H2,1-3H3
InChIKeyCMUOMZKLRKURIJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.39
Rot. Bonds4

About methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate

methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate (PubChem CID 114696700) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate
PubChem CID114696700
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC1(C)CCNCC1
InChIInChI=1S/C10H20N2O4S/c1-8(9(13)16-3)17(14,15)12-10(2)4-6-11-7-5-10/h8,11-12H,4-7H2,1-3H3
InChIKeyCMUOMZKLRKURIJ-UHFFFAOYSA-N
XLogP-0.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate?
The IUPAC name of methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate (CID 114696700) is methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)NC1(C)CCNCC1.
What is the InChIKey of methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate?
The InChIKey is CMUOMZKLRKURIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(9(13)16-3)17(14,15)12-10(2)4-6-11-7-5-10/h8,11-12H,4-7H2,1-3H3.
What are the key properties of methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate?
methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate has a molecular weight of 264.35 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate is sourced from PubChem (CID 114696700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).