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

C11H19NO4S — CID 104550160

IUPAC2-[[2-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CC2CCCC2CO)S1(=O)=O
InChIInChI=1S/C11H19NO4S/c1-11(2)10(14)12(17(11,15)16)6-8-4-3-5-9(8)7-13/h8-9,13H,3-7H2,1-2H3
InChIKeyHUHDFMBSJUJOST-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.35
Rot. Bonds3

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

2-[[2-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 104550160) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID104550160
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name2-[[2-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CC2CCCC2CO)S1(=O)=O
InChIInChI=1S/C11H19NO4S/c1-11(2)10(14)12(17(11,15)16)6-8-4-3-5-9(8)7-13/h8-9,13H,3-7H2,1-2H3
InChIKeyHUHDFMBSJUJOST-UHFFFAOYSA-N
XLogP0.35
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one with MolForge

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Related Compounds

2-[(4,4-Dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 79876142
2-[(2-Hydroxycyclohexyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104549729
2-[(2-Hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550134
2-(2-Ethyl-4-hydroxybutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550564
2-[(3-Hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106131219
2-[(3-Hydroxycyclohexyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106131638
2-[2-(Hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106364704
2-[2-(Hydroxymethyl)cyclohexyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106364781
2-[[2-(Hydroxymethyl)cyclohexyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 113425834
2-[[1-(Hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 113425847
2-[2-(2-Hydroxyethyl)pentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 114145577

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 104550160) is 2-[[2-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[[2-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[[2-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(CC2CCCC2CO)S1(=O)=O.
What is the InChIKey of 2-[[2-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is HUHDFMBSJUJOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-11(2)10(14)12(17(11,15)16)6-8-4-3-5-9(8)7-13/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 2-[[2-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[[2-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 261.34 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 104550160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).