4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid

C13H18N2O4S — CID 60950649

IUPAC4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C13H18N2O4S/c16-13(17)5-3-9-20(18,19)15(12-6-7-12)10-11-4-1-2-8-14-11/h1-2,4,8,12H,3,5-7,9-10H2,(H,16,17)
InChIKeyAGOXNXCSFFCITA-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.24
Rot. Bonds8

About 4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid

4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid (PubChem CID 60950649) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid
PubChem CID60950649
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C13H18N2O4S/c16-13(17)5-3-9-20(18,19)15(12-6-7-12)10-11-4-1-2-8-14-11/h1-2,4,8,12H,3,5-7,9-10H2,(H,16,17)
InChIKeyAGOXNXCSFFCITA-UHFFFAOYSA-N
XLogP1.24
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60864750
4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid
CID 28774366
8-[bis(pyridin-2-ylmethyl)amino]octanoic acid
CID 67061848
tert-butyl 4-[3-cyanopropylsulfonyl(pyridin-2-ylmethyl)amino]azepane-1-carboxylate
CID 86819529
3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid
CID 54926408
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997
4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149112
2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide
CID 61042552
N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide
CID 79113990
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
15-[carboxymethyl(pyridin-2-ylmethyl)amino]pentadecanoic acid
CID 90804342
2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61040681

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid (CID 60950649) is 4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)N(Cc1ccccn1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid?
The InChIKey is AGOXNXCSFFCITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-13(17)5-3-9-20(18,19)15(12-6-7-12)10-11-4-1-2-8-14-11/h1-2,4,8,12H,3,5-7,9-10H2,(H,16,17).
What are the key properties of 4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid?
4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid has a molecular weight of 298.36 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 60950649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).