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

C8H15NO5S — CID 106187130

IUPAC2-(1-hydroxy-3-methoxypropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCOCC(CO)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C8H15NO5S/c1-8(2)7(11)9(15(8,12)13)6(4-10)5-14-3/h6,10H,4-5H2,1-3H3
InChIKeySKQPESLWVNSYQR-UHFFFAOYSA-N
MW237.28 g/mol
LogP-1.06
Rot. Bonds4

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

2-(1-hydroxy-3-methoxypropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 106187130) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methoxypropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(1-hydroxy-3-methoxypropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID106187130
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-(1-hydroxy-3-methoxypropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCOCC(CO)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C8H15NO5S/c1-8(2)7(11)9(15(8,12)13)6(4-10)5-14-3/h6,10H,4-5H2,1-3H3
InChIKeySKQPESLWVNSYQR-UHFFFAOYSA-N
XLogP-1.06
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-methoxypropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(1-hydroxy-3-methoxypropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 106187130) is 2-(1-hydroxy-3-methoxypropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(1-hydroxy-3-methoxypropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(1-hydroxy-3-methoxypropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is COCC(CO)N1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-(1-hydroxy-3-methoxypropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is SKQPESLWVNSYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-8(2)7(11)9(15(8,12)13)6(4-10)5-14-3/h6,10H,4-5H2,1-3H3.
What are the key properties of 2-(1-hydroxy-3-methoxypropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(1-hydroxy-3-methoxypropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 237.28 g/mol, XLogP of -1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-methoxypropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 106187130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).