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

C8H16N2O3S — CID 79874692

IUPAC2-(4-aminobutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(CCN)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-6(4-5-9)10-7(11)8(2,3)14(10,12)13/h6H,4-5,9H2,1-3H3
InChIKeyZNGFNDLHNGIYID-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.33
Rot. Bonds3

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

2-(4-aminobutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79874692) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(4-aminobutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(4-aminobutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79874692
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name2-(4-aminobutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(CCN)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-6(4-5-9)10-7(11)8(2,3)14(10,12)13/h6H,4-5,9H2,1-3H3
InChIKeyZNGFNDLHNGIYID-UHFFFAOYSA-N
XLogP-0.33
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 64019390
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CID 64019602
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CID 64033565
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CID 64034617
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CID 65570355
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CID 79873568
CID 79873568

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(4-aminobutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79874692) is 2-(4-aminobutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(4-aminobutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(4-aminobutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC(CCN)N1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-(4-aminobutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is ZNGFNDLHNGIYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-6(4-5-9)10-7(11)8(2,3)14(10,12)13/h6H,4-5,9H2,1-3H3.
What are the key properties of 2-(4-aminobutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(4-aminobutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 220.29 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79874692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).