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

C10H20N2O4S — CID 114696709

IUPAC4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid
SMILESCC1(NS(=O)(=O)CCCC(=O)O)CCNCC1
InChIInChI=1S/C10H20N2O4S/c1-10(4-6-11-7-5-10)12-17(15,16)8-2-3-9(13)14/h11-12H,2-8H2,1H3,(H,13,14)
InChIKeyCZICZADUWDKVEQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.09
Rot. Bonds6

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

4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid (PubChem CID 114696709) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid
PubChem CID114696709
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid
SMILESCC1(NS(=O)(=O)CCCC(=O)O)CCNCC1
InChIInChI=1S/C10H20N2O4S/c1-10(4-6-11-7-5-10)12-17(15,16)8-2-3-9(13)14/h11-12H,2-8H2,1H3,(H,13,14)
InChIKeyCZICZADUWDKVEQ-UHFFFAOYSA-N
XLogP-0.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 62552006
bis(hexanedioic acid);piperazine
CID 159642331
[(4-methylpiperidin-4-yl)amino]carbamic acid
CID 174694295
(4-methylpiperidin-4-yl)carbamic acid;hydrochloride
CID 121334668
methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate
CID 115902866
methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate
CID 114696700
1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide
CID 114696752
N-(4-methylpiperidin-4-yl)-2-methylsulfonylacetamide
CID 114696301
2-(4-hydroxypiperidin-4-yl)acetic acid
CID 15565781
4-[methyl(piperidin-4-yl)sulfamoyl]butanoic acid
CID 61403398
N-(1-methylcyclohexyl)propane-1-sulfonamide
CID 61384311
5-[[13-(4-carboxybutanoylamino)-6,13-dimethyl-1,4,8,11-tetrazacyclotetradec-6-yl]amino]-5-oxopentanoic acid
CID 46219136

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid (CID 114696709) is 4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid is CC1(NS(=O)(=O)CCCC(=O)O)CCNCC1.
What is the InChIKey of 4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid?
The InChIKey is CZICZADUWDKVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(4-6-11-7-5-10)12-17(15,16)8-2-3-9(13)14/h11-12H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid?
4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid has a molecular weight of 264.35 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid is sourced from PubChem (CID 114696709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).