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

C10H17NO4S — CID 106131219

IUPAC2-[(3-hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CC2CCC(O)C2)S1(=O)=O
InChIInChI=1S/C10H17NO4S/c1-10(2)9(13)11(16(10,14)15)6-7-3-4-8(12)5-7/h7-8,12H,3-6H2,1-2H3
InChIKeyOMPFRDCXDJBSJU-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.10
Rot. Bonds2

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

2-[(3-hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 106131219) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[(3-hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[(3-hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID106131219
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-[(3-hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CC2CCC(O)C2)S1(=O)=O
InChIInChI=1S/C10H17NO4S/c1-10(2)9(13)11(16(10,14)15)6-7-3-4-8(12)5-7/h7-8,12H,3-6H2,1-2H3
InChIKeyOMPFRDCXDJBSJU-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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Related Compounds

2-[(2-Hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550134
2-[[2-(Hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550160
2-(2-Ethyl-4-hydroxybutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104550564
2-[(3-Hydroxycyclohexyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106131638
2-[(4-Hydroxycyclohexyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106131863
2-(5-Hydroxy-4-methylpentyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106159333
2-[2-(Hydroxymethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106364704
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-[(3-hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[(3-hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 106131219) is 2-[(3-hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[(3-hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[(3-hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(CC2CCC(O)C2)S1(=O)=O.
What is the InChIKey of 2-[(3-hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is OMPFRDCXDJBSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-10(2)9(13)11(16(10,14)15)6-7-3-4-8(12)5-7/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 2-[(3-hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[(3-hydroxycyclopentyl)methyl]-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-[(3-hydroxycyclopentyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 106131219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).