1-cyclopropylsulfonylpiperidine-3-carboxylic acid

C9H15NO4S — CID 45496794

IUPAC1-cyclopropylsulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C9H15NO4S/c11-9(12)7-2-1-5-10(6-7)15(13,14)8-3-4-8/h7-8H,1-6H2,(H,11,12)
InChIKeyVQMFTCLAUIDDFL-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.28
Rot. Bonds3

About 1-cyclopropylsulfonylpiperidine-3-carboxylic acid

1-cyclopropylsulfonylpiperidine-3-carboxylic acid (PubChem CID 45496794) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-cyclopropylsulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropylsulfonylpiperidine-3-carboxylic acid
PubChem CID45496794
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name1-cyclopropylsulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C9H15NO4S/c11-9(12)7-2-1-5-10(6-7)15(13,14)8-3-4-8/h7-8H,1-6H2,(H,11,12)
InChIKeyVQMFTCLAUIDDFL-UHFFFAOYSA-N
XLogP0.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropylsulfonylpiperidine-3-carboxylic acid (CID 45496794) is 1-cyclopropylsulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropylsulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropylsulfonylpiperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonylpiperidine-3-carboxylic acid?
The InChIKey is VQMFTCLAUIDDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c11-9(12)7-2-1-5-10(6-7)15(13,14)8-3-4-8/h7-8H,1-6H2,(H,11,12).
What are the key properties of 1-cyclopropylsulfonylpiperidine-3-carboxylic acid?
1-cyclopropylsulfonylpiperidine-3-carboxylic acid has a molecular weight of 233.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 45496794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).