2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid

C11H19NO4S — CID 63068455

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H19NO4S/c13-11(14)9-3-1-2-4-10(9)12-5-7-17(15,16)8-6-12/h9-10H,1-8H2,(H,13,14)
InChIKeyQZBXCVWCMWGFDV-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.36
Rot. Bonds2

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid

2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid (PubChem CID 63068455) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
PubChem CID63068455
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H19NO4S/c13-11(14)9-3-1-2-4-10(9)12-5-7-17(15,16)8-6-12/h9-10H,1-8H2,(H,13,14)
InChIKeyQZBXCVWCMWGFDV-UHFFFAOYSA-N
XLogP0.36
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid (CID 63068455) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid?
The InChIKey is QZBXCVWCMWGFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c13-11(14)9-3-1-2-4-10(9)12-5-7-17(15,16)8-6-12/h9-10H,1-8H2,(H,13,14).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid?
2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63068455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).