4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid

C13H19N3O4S — CID 43708063

IUPAC4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C13H19N3O4S/c17-13(18)4-3-9-21(19,20)15-11-5-6-12(14-10-11)16-7-1-2-8-16/h5-6,10,15H,1-4,7-9H2,(H,17,18)
InChIKeyCBCXUQIPINTDFD-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.29
Rot. Bonds7

About 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid

4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid (PubChem CID 43708063) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid
PubChem CID43708063
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C13H19N3O4S/c17-13(18)4-3-9-21(19,20)15-11-5-6-12(14-10-11)16-7-1-2-8-16/h5-6,10,15H,1-4,7-9H2,(H,17,18)
InChIKeyCBCXUQIPINTDFD-UHFFFAOYSA-N
XLogP1.29
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide
CID 116815598
N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide
CID 113015936
4-[(4-fluorophenyl)sulfamoyl]butanoic acid
CID 28513841
N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015969
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide
CID 113011044
N-(6-morpholin-4-yl-3-pyridinyl)ethanesulfonamide
CID 53016560
4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid
CID 43700019
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
N-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]butane-1-sulfonamide
CID 113015557
3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid
CID 82310027
2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid
CID 65302404
4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30217600

Frequently Asked Questions

What is the IUPAC name of 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid (CID 43708063) is 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid?
The InChIKey is CBCXUQIPINTDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c17-13(18)4-3-9-21(19,20)15-11-5-6-12(14-10-11)16-7-1-2-8-16/h5-6,10,15H,1-4,7-9H2,(H,17,18).
What are the key properties of 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid?
4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid has a molecular weight of 313.38 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43708063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).