2-(1-butylsulfonylpiperidin-2-yl)acetic acid

C11H21NO4S — CID 54899860

IUPAC2-(1-butylsulfonylpiperidin-2-yl)acetic acid
SMILESCCCCS(=O)(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C11H21NO4S/c1-2-3-8-17(15,16)12-7-5-4-6-10(12)9-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeySSDDWMUINCHBDC-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.45
Rot. Bonds6

About 2-(1-butylsulfonylpiperidin-2-yl)acetic acid

2-(1-butylsulfonylpiperidin-2-yl)acetic acid (PubChem CID 54899860) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(1-butylsulfonylpiperidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-butylsulfonylpiperidin-2-yl)acetic acid
PubChem CID54899860
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-(1-butylsulfonylpiperidin-2-yl)acetic acid
SMILESCCCCS(=O)(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C11H21NO4S/c1-2-3-8-17(15,16)12-7-5-4-6-10(12)9-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeySSDDWMUINCHBDC-UHFFFAOYSA-N
XLogP1.45
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-butylsulfonylpiperidin-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-butylsulfonylpiperidin-2-yl)acetic acid?
The IUPAC name of 2-(1-butylsulfonylpiperidin-2-yl)acetic acid (CID 54899860) is 2-(1-butylsulfonylpiperidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-butylsulfonylpiperidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-butylsulfonylpiperidin-2-yl)acetic acid is CCCCS(=O)(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-(1-butylsulfonylpiperidin-2-yl)acetic acid?
The InChIKey is SSDDWMUINCHBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-2-3-8-17(15,16)12-7-5-4-6-10(12)9-11(13)14/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-(1-butylsulfonylpiperidin-2-yl)acetic acid?
2-(1-butylsulfonylpiperidin-2-yl)acetic acid has a molecular weight of 263.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylsulfonylpiperidin-2-yl)acetic acid is sourced from PubChem (CID 54899860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).