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

C12H24N2O4S — CID 60824973

IUPACtert-butyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H24N2O4S/c1-12(2,3)18-11(15)9-13-10-5-7-14(8-6-10)19(4,16)17/h10,13H,5-9H2,1-4H3
InChIKeyHFPJOKDMSDFIBD-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.34
Rot. Bonds4

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

tert-butyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate (PubChem CID 60824973) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is tert-butyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate
PubChem CID60824973
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Nametert-butyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H24N2O4S/c1-12(2,3)18-11(15)9-13-10-5-7-14(8-6-10)19(4,16)17/h10,13H,5-9H2,1-4H3
InChIKeyHFPJOKDMSDFIBD-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 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 tert-butyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate?
The IUPAC name of tert-butyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate (CID 60824973) is tert-butyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate is CC(C)(C)OC(=O)CNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of tert-butyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate?
The InChIKey is HFPJOKDMSDFIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-12(2,3)18-11(15)9-13-10-5-7-14(8-6-10)19(4,16)17/h10,13H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate?
tert-butyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate has a molecular weight of 292.40 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate is sourced from PubChem (CID 60824973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).