4-[2-adamantyl(methyl)sulfamoyl]butanoic acid

C15H25NO4S — CID 60950357

IUPAC4-[2-adamantyl(methyl)sulfamoyl]butanoic acid
SMILESCN(C1C2CC3CC(C2)CC1C3)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C15H25NO4S/c1-16(21(19,20)4-2-3-14(17)18)15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15H,2-9H2,1H3,(H,17,18)
InChIKeyODIVFESOVJTZQE-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.94
Rot. Bonds6

About 4-[2-adamantyl(methyl)sulfamoyl]butanoic acid

4-[2-adamantyl(methyl)sulfamoyl]butanoic acid (PubChem CID 60950357) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-[2-adamantyl(methyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[2-adamantyl(methyl)sulfamoyl]butanoic acid
PubChem CID60950357
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name4-[2-adamantyl(methyl)sulfamoyl]butanoic acid
SMILESCN(C1C2CC3CC(C2)CC1C3)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C15H25NO4S/c1-16(21(19,20)4-2-3-14(17)18)15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15H,2-9H2,1H3,(H,17,18)
InChIKeyODIVFESOVJTZQE-UHFFFAOYSA-N
XLogP1.94
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid
CID 66186641
4-[methyl(piperidin-4-yl)sulfamoyl]butanoic acid
CID 61403398
4-(2-adamantylsulfamoyl)butanoic acid
CID 43713030
1-(2-adamantyl)-1-pentylsulfonylurea
CID 67356076
4-[adamantane-2-carbonyl(methyl)amino]butanoic acid
CID 78980362
4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid
CID 60951985
4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid
CID 62862361
3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid
CID 82731745
3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid
CID 61403399
4-[cyclopentyl(ethyl)sulfamoyl]butanoic acid
CID 43541031
4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid
CID 63954719
4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid
CID 54876206

Frequently Asked Questions

What is the IUPAC name of 4-[2-adamantyl(methyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[2-adamantyl(methyl)sulfamoyl]butanoic acid (CID 60950357) is 4-[2-adamantyl(methyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[2-adamantyl(methyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[2-adamantyl(methyl)sulfamoyl]butanoic acid is CN(C1C2CC3CC(C2)CC1C3)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[2-adamantyl(methyl)sulfamoyl]butanoic acid?
The InChIKey is ODIVFESOVJTZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-16(21(19,20)4-2-3-14(17)18)15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15H,2-9H2,1H3,(H,17,18).
What are the key properties of 4-[2-adamantyl(methyl)sulfamoyl]butanoic acid?
4-[2-adamantyl(methyl)sulfamoyl]butanoic acid has a molecular weight of 315.44 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-adamantyl(methyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 60950357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).