4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one

C11H20N2O3S — CID 114956280

IUPAC4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one
SMILESCC1CCNCC1CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-8-4-5-12-6-9(8)7-13-10(14)11(2,3)17(13,15)16/h8-9,12H,4-7H2,1-3H3
InChIKeyGVSZYAPMDBFWTC-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.18
Rot. Bonds2

About 4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one

4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one (PubChem CID 114956280) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one
PubChem CID114956280
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one
SMILESCC1CCNCC1CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-8-4-5-12-6-9(8)7-13-10(14)11(2,3)17(13,15)16/h8-9,12H,4-7H2,1-3H3
InChIKeyGVSZYAPMDBFWTC-UHFFFAOYSA-N
XLogP0.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one?
The IUPAC name of 4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one (CID 114956280) is 4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one is CC1CCNCC1CN1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one?
The InChIKey is GVSZYAPMDBFWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8-4-5-12-6-9(8)7-13-10(14)11(2,3)17(13,15)16/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one?
4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one has a molecular weight of 260.36 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 114956280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).