1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid

C10H18N2O6S2 — CID 60858617

IUPAC1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C10H18N2O6S2/c13-10(14)9-1-3-11(4-2-9)20(17,18)12-5-7-19(15,16)8-6-12/h9H,1-8H2,(H,13,14)
InChIKeyPESQLYMGSICSFR-UHFFFAOYSA-N
MW326.40 g/mol
LogP-1.24
Rot. Bonds3

About 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid

1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid (PubChem CID 60858617) has the molecular formula C10H18N2O6S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid
PubChem CID60858617
Molecular FormulaC10H18N2O6S2
Molecular Weight326.40 g/mol
Exact Mass326.06
IUPAC Name1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C10H18N2O6S2/c13-10(14)9-1-3-11(4-2-9)20(17,18)12-5-7-19(15,16)8-6-12/h9H,1-8H2,(H,13,14)
InChIKeyPESQLYMGSICSFR-UHFFFAOYSA-N
XLogP-1.24
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 5071683
1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid
CID 60858778
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 60858430
1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030464
1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 130884423
1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 60857580
1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 64568646
1-(4-hydroxy-4-methylazepan-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 107404034
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 81126357
piperidine-1,4-dicarboxylic acid
CID 18542445
1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 81043165

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid (CID 60858617) is 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid?
The InChIKey is PESQLYMGSICSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S2/c13-10(14)9-1-3-11(4-2-9)20(17,18)12-5-7-19(15,16)8-6-12/h9H,1-8H2,(H,13,14).
What are the key properties of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid?
1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of -1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60858617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).