4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid

C12H24N2O4S — CID 62991707

IUPAC4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid
SMILESCC(CNS(=O)(=O)CCCC(=O)O)CN1CCCC1
InChIInChI=1S/C12H24N2O4S/c1-11(10-14-6-2-3-7-14)9-13-19(17,18)8-4-5-12(15)16/h11,13H,2-10H2,1H3,(H,15,16)
InChIKeyWVWFZBQNAXYHJK-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.50
Rot. Bonds9

About 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid

4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid (PubChem CID 62991707) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid
PubChem CID62991707
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid
SMILESCC(CNS(=O)(=O)CCCC(=O)O)CN1CCCC1
InChIInChI=1S/C12H24N2O4S/c1-11(10-14-6-2-3-7-14)9-13-19(17,18)8-4-5-12(15)16/h11,13H,2-10H2,1H3,(H,15,16)
InChIKeyWVWFZBQNAXYHJK-UHFFFAOYSA-N
XLogP0.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid
CID 62989593
N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
CID 61384303
3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid
CID 61472996
1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide
CID 83086462
4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid
CID 64541919
5-(butylsulfonylamino)-4-methylpentanoic acid
CID 82016892
4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid
CID 43209551
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide
CID 62060306
4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid
CID 64890132
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid (CID 62991707) is 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid is CC(CNS(=O)(=O)CCCC(=O)O)CN1CCCC1.
What is the InChIKey of 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid?
The InChIKey is WVWFZBQNAXYHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-11(10-14-6-2-3-7-14)9-13-19(17,18)8-4-5-12(15)16/h11,13H,2-10H2,1H3,(H,15,16).
What are the key properties of 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid?
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid has a molecular weight of 292.40 g/mol, XLogP of 0.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 62991707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).