2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C10H16N2O4S — CID 79887203

IUPAC2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(C2C(N)C3CCOC32)S1(=O)=O
InChIInChI=1S/C10H16N2O4S/c1-10(2)9(13)12(17(10,14)15)7-6(11)5-3-4-16-8(5)7/h5-8H,3-4,11H2,1-2H3
InChIKeyDNUSHRWVYDCLKJ-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.95
Rot. Bonds1

About 2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79887203) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79887203
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(C2C(N)C3CCOC32)S1(=O)=O
InChIInChI=1S/C10H16N2O4S/c1-10(2)9(13)12(17(10,14)15)7-6(11)5-3-4-16-8(5)7/h5-8H,3-4,11H2,1-2H3
InChIKeyDNUSHRWVYDCLKJ-UHFFFAOYSA-N
XLogP-0.95
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one with MolForge

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Related Compounds

1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-methylpyrrole-2,5-dione
CID 66212292
3-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1,3-oxazinan-2-one
CID 66211132
1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3,3-diethylpyrrolidine-2,5-dione
CID 66212149
1-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrrolidine-2,5-dione
CID 66213508
4,4-dimethyl-2-[4-(methylamino)cyclohexyl]-1,1-dioxothiazetidin-3-one
CID 79873810
2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392916
8-(3,3-diethylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 79678774
8-(3,3-dimethoxyazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 79677958
4-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 66212729
2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79876311
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide
CID 66197692
7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 79677956

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79887203) is 2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(C2C(N)C3CCOC32)S1(=O)=O.
What is the InChIKey of 2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is DNUSHRWVYDCLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-10(2)9(13)12(17(10,14)15)7-6(11)5-3-4-16-8(5)7/h5-8H,3-4,11H2,1-2H3.
What are the key properties of 2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 260.31 g/mol, XLogP of -0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79887203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).