methyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate

C9H18N2O4S — CID 43628908

IUPACmethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate
SMILESCOC(=O)CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H18N2O4S/c1-15-9(12)7-10-8-3-5-11(6-4-8)16(2,13)14/h8,10H,3-7H2,1-2H3
InChIKeyWXHDQYDUBFGULX-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.83
Rot. Bonds4

About methyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate

methyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate (PubChem CID 43628908) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate
PubChem CID43628908
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Namemethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate
SMILESCOC(=O)CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H18N2O4S/c1-15-9(12)7-10-8-3-5-11(6-4-8)16(2,13)14/h8,10H,3-7H2,1-2H3
InChIKeyWXHDQYDUBFGULX-UHFFFAOYSA-N
XLogP-0.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]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-methylsulfonylpiperidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate (CID 43628908) is methyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate is COC(=O)CNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of methyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate?
The InChIKey is WXHDQYDUBFGULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-15-9(12)7-10-8-3-5-11(6-4-8)16(2,13)14/h8,10H,3-7H2,1-2H3.
What are the key properties of methyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate?
methyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate has a molecular weight of 250.32 g/mol, XLogP of -0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate is sourced from PubChem (CID 43628908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).