1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid

C11H19NO4S — CID 55056464

IUPAC1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C11H19NO4S/c13-10(14)11(3-1-2-4-11)9-12-5-7-17(15,16)8-6-12/h1-9H2,(H,13,14)
InChIKeyZPJGSAFTVIQJKT-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.36
Rot. Bonds3

About 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid

1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 55056464) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID55056464
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C11H19NO4S/c13-10(14)11(3-1-2-4-11)9-12-5-7-17(15,16)8-6-12/h1-9H2,(H,13,14)
InChIKeyZPJGSAFTVIQJKT-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid (CID 55056464) is 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(CN2CCS(=O)(=O)CC2)CCCC1.
What is the InChIKey of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZPJGSAFTVIQJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c13-10(14)11(3-1-2-4-11)9-12-5-7-17(15,16)8-6-12/h1-9H2,(H,13,14).
What are the key properties of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55056464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).