2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C12H24N2O3S — CID 79886255

IUPAC2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(CNC(C)(C)C)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-9(7-13-11(2,3)4)8-14-10(15)12(5,6)18(14,16)17/h9,13H,7-8H2,1-6H3
InChIKeyBGOKRXGLMTUKEK-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.96
Rot. Bonds4

About 2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79886255) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79886255
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(CNC(C)(C)C)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-9(7-13-11(2,3)4)8-14-10(15)12(5,6)18(14,16)17/h9,13H,7-8H2,1-6H3
InChIKeyBGOKRXGLMTUKEK-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 113807413
2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
CID 59634338
2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
CID 70852288
N-[2-(dimethylsulfamoyl)ethyl]-2-methylpropanamide
CID 106342901
2-methyl-N-[3-(methylsulfamoyl)propyl]propanamide
CID 137429540
2-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide
CID 155773090
2-methyl-N-propan-2-ylpropanamide;N-propan-2-ylpropane-2-sulfonamide
CID 159300801
2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide
CID 164739919
N-[2-(azetidin-1-ylsulfonyl)ethyl]-2-methylpropanamide
CID 164739927
N-[2-(tert-butylsulfamoyl)ethyl]-2,2-dimethylpropanamide
CID 164927297
3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide
CID 60850427
3-(tert-butylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide
CID 61014626

Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79886255) is 2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC(CNC(C)(C)C)CN1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is BGOKRXGLMTUKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-9(7-13-11(2,3)4)8-14-10(15)12(5,6)18(14,16)17/h9,13H,7-8H2,1-6H3.
What are the key properties of 2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 276.40 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79886255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).