4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid

C10H20N2O4S — CID 61211429

IUPAC4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid
SMILESCN1CCCC(NS(=O)(=O)CCCC(=O)O)C1
InChIInChI=1S/C10H20N2O4S/c1-12-6-2-4-9(8-12)11-17(15,16)7-3-5-10(13)14/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyKFGAQYSBLCDBFW-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.14
Rot. Bonds6

About 4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid

4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid (PubChem CID 61211429) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid
PubChem CID61211429
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid
SMILESCN1CCCC(NS(=O)(=O)CCCC(=O)O)C1
InChIInChI=1S/C10H20N2O4S/c1-12-6-2-4-9(8-12)11-17(15,16)7-3-5-10(13)14/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyKFGAQYSBLCDBFW-UHFFFAOYSA-N
XLogP-0.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
CID 61384296
4-[(4-ethylcyclohexyl)sulfamoyl]butanoic acid
CID 54955484
methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate
CID 61460228
7-[(1-methylpiperidin-3-yl)carbamoylamino]heptanoic acid
CID 61223092
4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid
CID 114122691
3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
CID 79585064
4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid
CID 115122599
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
4-[2-(cycloheptylamino)ethylsulfamoyl]butanoic acid
CID 115306585
4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid
CID 107216293

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid (CID 61211429) is 4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid is CN1CCCC(NS(=O)(=O)CCCC(=O)O)C1.
What is the InChIKey of 4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid?
The InChIKey is KFGAQYSBLCDBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-12-6-2-4-9(8-12)11-17(15,16)7-3-5-10(13)14/h9,11H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid?
4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid has a molecular weight of 264.35 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid is sourced from PubChem (CID 61211429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).