2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid

C14H25NO4S — CID 167851638

IUPAC2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid
SMILESCC(C)CS(=O)(=O)NC1CC2(CCC(C(=O)O)CC2)C1
InChIInChI=1S/C14H25NO4S/c1-10(2)9-20(18,19)15-12-7-14(8-12)5-3-11(4-6-14)13(16)17/h10-12,15H,3-9H2,1-2H3,(H,16,17)
InChIKeySPKDUDUUBZOKDT-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.99
Rot. Bonds5

About 2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid

2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid (PubChem CID 167851638) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid
PubChem CID167851638
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid
SMILESCC(C)CS(=O)(=O)NC1CC2(CCC(C(=O)O)CC2)C1
InChIInChI=1S/C14H25NO4S/c1-10(2)9-20(18,19)15-12-7-14(8-12)5-3-11(4-6-14)13(16)17/h10-12,15H,3-9H2,1-2H3,(H,16,17)
InChIKeySPKDUDUUBZOKDT-UHFFFAOYSA-N
XLogP1.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid (CID 167851638) is 2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid is CC(C)CS(=O)(=O)NC1CC2(CCC(C(=O)O)CC2)C1.
What is the InChIKey of 2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid?
The InChIKey is SPKDUDUUBZOKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-10(2)9-20(18,19)15-12-7-14(8-12)5-3-11(4-6-14)13(16)17/h10-12,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid?
2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid has a molecular weight of 303.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonylamino)spiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 167851638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).