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

C11H19NO4S — CID 61291228

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(N2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C11H19NO4S/c13-10(14)11(4-2-1-3-5-11)12-6-8-17(15,16)9-7-12/h1-9H2,(H,13,14)
InChIKeyJXFWVJGKHORFFB-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.50
Rot. Bonds2

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

1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid (PubChem CID 61291228) 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)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
PubChem CID61291228
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(N2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C11H19NO4S/c13-10(14)11(4-2-1-3-5-11)12-6-8-17(15,16)9-7-12/h1-9H2,(H,13,14)
InChIKeyJXFWVJGKHORFFB-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 114994908
1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66545433
1-(4-oxopiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 69352996
1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid
CID 91503415
4-(azepan-1-yl)-1-methylpiperidine-4-carboxylic acid
CID 54914400
3-(4-methylpiperazin-1-yl)-1,1-dioxothiane-3-carboxylic acid
CID 63911066
1-(2-azaspiro[3.3]heptan-2-yl)cycloheptane-1-carboxylic acid
CID 79694328
1-methyl-4-(4-methylpiperazin-1-yl)azepane-4-carboxylic acid
CID 65420767
8-morpholin-4-ylspiro[4.5]decane-8-carboxylic acid
CID 114819765
1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid
CID 79694842
4-piperidin-1-ylpiperidine-4-carboxylic acid
CID 22185355
1-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 114994913

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid (CID 61291228) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid is O=C(O)C1(N2CCS(=O)(=O)CC2)CCCCC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid?
The InChIKey is JXFWVJGKHORFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c13-10(14)11(4-2-1-3-5-11)12-6-8-17(15,16)9-7-12/h1-9H2,(H,13,14).
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid?
1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 0.50, 2 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)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61291228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).