2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid

C9H18N2O4S — CID 62546054

IUPAC2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid
SMILESCN1CCCC(N(C)S(=O)(=O)CC(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-10-5-3-4-8(6-10)11(2)16(14,15)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyFPFFCXOEPLLFOA-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.57
Rot. Bonds4

About 2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid

2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid (PubChem CID 62546054) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid
PubChem CID62546054
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid
SMILESCN1CCCC(N(C)S(=O)(=O)CC(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-10-5-3-4-8(6-10)11(2)16(14,15)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyFPFFCXOEPLLFOA-UHFFFAOYSA-N
XLogP-0.57
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid?
The IUPAC name of 2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid (CID 62546054) is 2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid is CN1CCCC(N(C)S(=O)(=O)CC(=O)O)C1.
What is the InChIKey of 2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid?
The InChIKey is FPFFCXOEPLLFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-10-5-3-4-8(6-10)11(2)16(14,15)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid?
2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid has a molecular weight of 250.32 g/mol, XLogP of -0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid is sourced from PubChem (CID 62546054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).