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

C11H21NO4S — CID 114145577

IUPAC2-[2-(2-hydroxyethyl)pentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCCCC(CCO)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C11H21NO4S/c1-4-5-9(6-7-13)8-12-10(14)11(2,3)17(12,15)16/h9,13H,4-8H2,1-3H3
InChIKeyGSVQJUTZXYWKEA-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.74
Rot. Bonds6

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

2-[2-(2-hydroxyethyl)pentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 114145577) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)pentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)pentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID114145577
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-[2-(2-hydroxyethyl)pentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCCCC(CCO)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C11H21NO4S/c1-4-5-9(6-7-13)8-12-10(14)11(2,3)17(12,15)16/h9,13H,4-8H2,1-3H3
InChIKeyGSVQJUTZXYWKEA-UHFFFAOYSA-N
XLogP0.74
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)pentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[2-(2-hydroxyethyl)pentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 114145577) is 2-[2-(2-hydroxyethyl)pentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)pentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[2-(2-hydroxyethyl)pentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CCCC(CCO)CN1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-[2-(2-hydroxyethyl)pentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is GSVQJUTZXYWKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-4-5-9(6-7-13)8-12-10(14)11(2,3)17(12,15)16/h9,13H,4-8H2,1-3H3.
What are the key properties of 2-[2-(2-hydroxyethyl)pentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[2-(2-hydroxyethyl)pentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 263.36 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)pentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 114145577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).