(3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid

C12H20N2O5S — CID 102885151

IUPAC(3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CS(=O)(=O)CCN1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C12H20N2O5S/c1-9-8-20(18,19)6-5-14(9)12(17)13-4-2-3-10(7-13)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)/t9?,10-/m0/s1
InChIKeyMAZFZOHNSQHFJB-AXDSSHIGSA-N
MW304.37 g/mol
LogP0.02
Rot. Bonds1

About (3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 102885151) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is (3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID102885151
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name(3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CS(=O)(=O)CCN1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C12H20N2O5S/c1-9-8-20(18,19)6-5-14(9)12(17)13-4-2-3-10(7-13)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)/t9?,10-/m0/s1
InChIKeyMAZFZOHNSQHFJB-AXDSSHIGSA-N
XLogP0.02
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid (CID 102885151) is (3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid is CC1CS(=O)(=O)CCN1C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is MAZFZOHNSQHFJB-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-9-8-20(18,19)6-5-14(9)12(17)13-4-2-3-10(7-13)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)/t9?,10-/m0/s1.
What are the key properties of (3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 102885151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).