1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid

C10H18N2O6S2 — CID 60858778

IUPAC1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18N2O6S2/c13-10(14)9-3-1-2-4-12(9)20(17,18)11-5-7-19(15,16)8-6-11/h9H,1-8H2,(H,13,14)
InChIKeyMASQAZPBHQMEGQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP-1.10
Rot. Bonds3

About 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid

1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid (PubChem CID 60858778) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid
PubChem CID60858778
Molecular FormulaC10H18N2O6S2
Molecular Weight326.40 g/mol
Exact Mass326.06
IUPAC Name1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18N2O6S2/c13-10(14)9-3-1-2-4-12(9)20(17,18)11-5-7-19(15,16)8-6-11/h9H,1-8H2,(H,13,14)
InChIKeyMASQAZPBHQMEGQ-UHFFFAOYSA-N
XLogP-1.10
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 ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid with MolForge

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Related Compounds

(2S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-2-carboxylic acid
CID 66263114
(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 28784096
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid
CID 60858592
1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid
CID 60858617
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782
1-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 103355681
(2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid
CID 18727219
1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azepane-2-carboxylic acid
CID 64561943
(2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid
CID 66262970
1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid
CID 60858772
methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate
CID 79830606

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid (CID 60858778) is 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1S(=O)(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid?
The InChIKey is MASQAZPBHQMEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S2/c13-10(14)9-3-1-2-4-12(9)20(17,18)11-5-7-19(15,16)8-6-11/h9H,1-8H2,(H,13,14).
What are the key properties of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid?
1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of -1.10, 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-2-carboxylic acid is sourced from PubChem (CID 60858778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).