2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C10H17NO4S — CID 106364704

IUPAC2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(C2CCCC2CO)S1(=O)=O
InChIInChI=1S/C10H17NO4S/c1-10(2)9(13)11(16(10,14)15)8-5-3-4-7(8)6-12/h7-8,12H,3-6H2,1-2H3
InChIKeyLKJIKTUGNRQXNA-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.10
Rot. Bonds2

About 2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 106364704) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID106364704
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(C2CCCC2CO)S1(=O)=O
InChIInChI=1S/C10H17NO4S/c1-10(2)9(13)11(16(10,14)15)8-5-3-4-7(8)6-12/h7-8,12H,3-6H2,1-2H3
InChIKeyLKJIKTUGNRQXNA-UHFFFAOYSA-N
XLogP0.10
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 106364704) is 2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(C2CCCC2CO)S1(=O)=O.
What is the InChIKey of 2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is LKJIKTUGNRQXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-10(2)9(13)11(16(10,14)15)8-5-3-4-7(8)6-12/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 247.32 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 106364704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).