4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid

C14H25NO4S — CID 43361932

IUPAC4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid
SMILESCC1(C)C2CCC1(C)C(NS(=O)(=O)CCCC(=O)O)C2
InChIInChI=1S/C14H25NO4S/c1-13(2)10-6-7-14(13,3)11(9-10)15-20(18,19)8-4-5-12(16)17/h10-11,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyKJQUPHNADWTCMS-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.99
Rot. Bonds6

About 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid

4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid (PubChem CID 43361932) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid
PubChem CID43361932
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid
SMILESCC1(C)C2CCC1(C)C(NS(=O)(=O)CCCC(=O)O)C2
InChIInChI=1S/C14H25NO4S/c1-13(2)10-6-7-14(13,3)11(9-10)15-20(18,19)8-4-5-12(16)17/h10-11,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyKJQUPHNADWTCMS-UHFFFAOYSA-N
XLogP1.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid (CID 43361932) is 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid is CC1(C)C2CCC1(C)C(NS(=O)(=O)CCCC(=O)O)C2.
What is the InChIKey of 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid?
The InChIKey is KJQUPHNADWTCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-13(2)10-6-7-14(13,3)11(9-10)15-20(18,19)8-4-5-12(16)17/h10-11,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid?
4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid has a molecular weight of 303.42 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43361932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).