3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide

C7H12N2O4S — CID 79886348

IUPAC3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide
SMILESCC1(C)C(=O)N(CCC(N)=O)S1(=O)=O
InChIInChI=1S/C7H12N2O4S/c1-7(2)6(11)9(14(7,12)13)4-3-5(8)10/h3-4H2,1-2H3,(H2,8,10)
InChIKeyKYEPLUSMONKCOG-UHFFFAOYSA-N
MW220.25 g/mol
LogP-1.19
Rot. Bonds3

About 3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide

3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide (PubChem CID 79886348) has the molecular formula C7H12N2O4S and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide.

Molecular Properties

Compound Name3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide
PubChem CID79886348
Molecular FormulaC7H12N2O4S
Molecular Weight220.25 g/mol
Exact Mass220.05
IUPAC Name3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide
SMILESCC1(C)C(=O)N(CCC(N)=O)S1(=O)=O
InChIInChI=1S/C7H12N2O4S/c1-7(2)6(11)9(14(7,12)13)4-3-5(8)10/h3-4H2,1-2H3,(H2,8,10)
InChIKeyKYEPLUSMONKCOG-UHFFFAOYSA-N
XLogP-1.19
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide?
The IUPAC name of 3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide (CID 79886348) is 3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide.
What is the SMILES notation for 3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide?
The canonical SMILES for 3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide is CC1(C)C(=O)N(CCC(N)=O)S1(=O)=O.
What is the InChIKey of 3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide?
The InChIKey is KYEPLUSMONKCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4S/c1-7(2)6(11)9(14(7,12)13)4-3-5(8)10/h3-4H2,1-2H3,(H2,8,10).
What are the key properties of 3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide?
3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide has a molecular weight of 220.25 g/mol, XLogP of -1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide is sourced from PubChem (CID 79886348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).