2-(2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C6H11NO4S — CID 79886077

IUPAC2-(2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CCO)S1(=O)=O
InChIInChI=1S/C6H11NO4S/c1-6(2)5(9)7(3-4-8)12(6,10)11/h8H,3-4H2,1-2H3
InChIKeyPINTVKQYCNXUMD-UHFFFAOYSA-N
MW193.22 g/mol
LogP-1.07
Rot. Bonds2

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

2-(2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79886077) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79886077
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name2-(2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CCO)S1(=O)=O
InChIInChI=1S/C6H11NO4S/c1-6(2)5(9)7(3-4-8)12(6,10)11/h8H,3-4H2,1-2H3
InChIKeyPINTVKQYCNXUMD-UHFFFAOYSA-N
XLogP-1.07
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,4-Dimethyl-1,1,3-trioxothiazetidin-2-yl)acetic acid
CID 79875266
4,4-Dimethyl-1,1-dioxo-2-(3,3,3-trifluoro-2-hydroxypropyl)thiazetidin-3-one
CID 103738804
2-(3,3-Difluoro-2-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 105649167
2-(2,2-Difluoro-3-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106172592
2-(3-Fluoro-2-hydroxypropyl)-4,4-dimethyl-1lambda6,2-thiazetidine-1,1,3-trione
CID 165600805
1-(3-Hydroxyazetidin-1-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 64018761
2-[2-(2-Hydroxyethoxy)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886166
2-(4-Hydroxybutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886167
2-(3-Amino-2-hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887122
2-(3-Hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887303
2-(2-Hydroxypropyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79887392
2-(3-Hydroxybutan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 80076653

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79886077) is 2-(2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(CCO)S1(=O)=O.
What is the InChIKey of 2-(2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is PINTVKQYCNXUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-6(2)5(9)7(3-4-8)12(6,10)11/h8H,3-4H2,1-2H3.
What are the key properties of 2-(2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 193.22 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79886077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).