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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide
CID 62546278
4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62546053
N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide
CID 64586876
2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid
CID 66565594
N-methyl-N-(1-methylpiperidin-3-yl)piperazine-1-sulfonamide
CID 62547844
N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 64587065
N-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide
CID 62546301
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide
CID 114328609
2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]butanedioic acid
CID 115144584
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567

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).