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

C11H22N2O5S — CID 103153472

IUPAC3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCOC(CNS(=O)(=O)N1CCC(C)CC1)CC(=O)O
InChIInChI=1S/C11H22N2O5S/c1-9-3-5-13(6-4-9)19(16,17)12-8-10(18-2)7-11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeySOWZNLVDCACUPT-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.04
Rot. Bonds7

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

3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid (PubChem CID 103153472) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
PubChem CID103153472
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCOC(CNS(=O)(=O)N1CCC(C)CC1)CC(=O)O
InChIInChI=1S/C11H22N2O5S/c1-9-3-5-13(6-4-9)19(16,17)12-8-10(18-2)7-11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeySOWZNLVDCACUPT-UHFFFAOYSA-N
XLogP0.04
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066819
N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide
CID 62966636
3-methoxy-4-(sulfamoylamino)butanoic acid
CID 103153567
3-methoxy-4-[(4-methylcyclohexanecarbonyl)amino]butanoic acid
CID 103153013
3-methoxy-4-(methylsulfamoylamino)butanoic acid
CID 103153444
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
4-[(1,1-dioxothian-4-yl)sulfonylamino]-3-methoxybutanoic acid
CID 103153587
2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 66174633
3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066565
1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107216371
2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 104682900
4-(azepan-1-ylsulfonylamino)-3-methylbutanoic acid
CID 81065684

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The IUPAC name of 3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid (CID 103153472) is 3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid is COC(CNS(=O)(=O)N1CCC(C)CC1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The InChIKey is SOWZNLVDCACUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-9-3-5-13(6-4-9)19(16,17)12-8-10(18-2)7-11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid has a molecular weight of 294.37 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 103153472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).