methyl 2-(1-butylsulfonylpiperidin-2-yl)acetate

C12H23NO4S — CID 54899624

IUPACmethyl 2-(1-butylsulfonylpiperidin-2-yl)acetate
SMILESCCCCS(=O)(=O)N1CCCCC1CC(=O)OC
InChIInChI=1S/C12H23NO4S/c1-3-4-9-18(15,16)13-8-6-5-7-11(13)10-12(14)17-2/h11H,3-10H2,1-2H3
InChIKeyCSYLJFYJDIVATM-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.53
Rot. Bonds6

About methyl 2-(1-butylsulfonylpiperidin-2-yl)acetate

methyl 2-(1-butylsulfonylpiperidin-2-yl)acetate (PubChem CID 54899624) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is methyl 2-(1-butylsulfonylpiperidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-butylsulfonylpiperidin-2-yl)acetate
PubChem CID54899624
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Namemethyl 2-(1-butylsulfonylpiperidin-2-yl)acetate
SMILESCCCCS(=O)(=O)N1CCCCC1CC(=O)OC
InChIInChI=1S/C12H23NO4S/c1-3-4-9-18(15,16)13-8-6-5-7-11(13)10-12(14)17-2/h11H,3-10H2,1-2H3
InChIKeyCSYLJFYJDIVATM-UHFFFAOYSA-N
XLogP1.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(1-butylsulfonylpiperidin-2-yl)acetate 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 methyl 2-(1-butylsulfonylpiperidin-2-yl)acetate?
The IUPAC name of methyl 2-(1-butylsulfonylpiperidin-2-yl)acetate (CID 54899624) is methyl 2-(1-butylsulfonylpiperidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(1-butylsulfonylpiperidin-2-yl)acetate?
The canonical SMILES for methyl 2-(1-butylsulfonylpiperidin-2-yl)acetate is CCCCS(=O)(=O)N1CCCCC1CC(=O)OC.
What is the InChIKey of methyl 2-(1-butylsulfonylpiperidin-2-yl)acetate?
The InChIKey is CSYLJFYJDIVATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-3-4-9-18(15,16)13-8-6-5-7-11(13)10-12(14)17-2/h11H,3-10H2,1-2H3.
What are the key properties of methyl 2-(1-butylsulfonylpiperidin-2-yl)acetate?
methyl 2-(1-butylsulfonylpiperidin-2-yl)acetate has a molecular weight of 277.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-butylsulfonylpiperidin-2-yl)acetate is sourced from PubChem (CID 54899624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).