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

C10H18N2O3S — CID 79875815

IUPAC4,4-dimethyl-2-(4-methylpiperidin-3-yl)-1,1-dioxothiazetidin-3-one
SMILESCC1CCNCC1N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-7-4-5-11-6-8(7)12-9(13)10(2,3)16(12,14)15/h7-8,11H,4-6H2,1-3H3
InChIKeyDUMFSTDMTYOHRP-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.06
Rot. Bonds1

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

4,4-dimethyl-2-(4-methylpiperidin-3-yl)-1,1-dioxothiazetidin-3-one (PubChem CID 79875815) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4,4-dimethyl-2-(4-methylpiperidin-3-yl)-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(4-methylpiperidin-3-yl)-1,1-dioxothiazetidin-3-one
PubChem CID79875815
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name4,4-dimethyl-2-(4-methylpiperidin-3-yl)-1,1-dioxothiazetidin-3-one
SMILESCC1CCNCC1N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-7-4-5-11-6-8(7)12-9(13)10(2,3)16(12,14)15/h7-8,11H,4-6H2,1-3H3
InChIKeyDUMFSTDMTYOHRP-UHFFFAOYSA-N
XLogP-0.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.06
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)-1,1-dioxothiazetidin-3-one?
The IUPAC name of 4,4-dimethyl-2-(4-methylpiperidin-3-yl)-1,1-dioxothiazetidin-3-one (CID 79875815) is 4,4-dimethyl-2-(4-methylpiperidin-3-yl)-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 4,4-dimethyl-2-(4-methylpiperidin-3-yl)-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 4,4-dimethyl-2-(4-methylpiperidin-3-yl)-1,1-dioxothiazetidin-3-one is CC1CCNCC1N1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 4,4-dimethyl-2-(4-methylpiperidin-3-yl)-1,1-dioxothiazetidin-3-one?
The InChIKey is DUMFSTDMTYOHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-7-4-5-11-6-8(7)12-9(13)10(2,3)16(12,14)15/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(4-methylpiperidin-3-yl)-1,1-dioxothiazetidin-3-one?
4,4-dimethyl-2-(4-methylpiperidin-3-yl)-1,1-dioxothiazetidin-3-one has a molecular weight of 246.33 g/mol, XLogP of -0.06, 1 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)-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79875815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).