6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid

C11H18N2O6S — CID 43581886

IUPAC6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H18N2O6S/c14-9(3-1-2-4-10(15)16)12-11(17)13-5-7-20(18,19)8-6-13/h1-8H2,(H,15,16)(H,12,14,17)
InChIKeyPNBBEDFJPMIATI-UHFFFAOYSA-N
MW306.34 g/mol
LogP-0.40
Rot. Bonds5

About 6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid

6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid (PubChem CID 43581886) has the molecular formula C11H18N2O6S and a molecular weight of 306.34 g/mol. Its IUPAC name is 6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid
PubChem CID43581886
Molecular FormulaC11H18N2O6S
Molecular Weight306.34 g/mol
Exact Mass306.09
IUPAC Name6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H18N2O6S/c14-9(3-1-2-4-10(15)16)12-11(17)13-5-7-20(18,19)8-6-13/h1-8H2,(H,15,16)(H,12,14,17)
InChIKeyPNBBEDFJPMIATI-UHFFFAOYSA-N
XLogP-0.40
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid with MolForge

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Related Compounds

6-[(1,1-Dioxothiolan-3-yl)carbamoylamino]-6-oxohexanoic acid
CID 43447265
6-Oxo-6-(thiomorpholine-4-carbonylamino)hexanoic acid
CID 43447380
6-Oxo-6-(2-sulfamoylethylcarbamoylamino)hexanoic acid
CID 43552575
6-(1,1-Dioxo-1,4-thiazinan-4-yl)-6-oxohexanoic acid
CID 43581463
5-[(1,1-Dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid
CID 43581888
6-[(1,1-Dioxothian-4-yl)carbamoylamino]-6-oxohexanoic acid
CID 43615412
6-[[(1,1-Dioxothiolan-3-yl)-methylcarbamoyl]amino]-6-oxohexanoic acid
CID 43648965
6-(2-Methylsulfonylethylcarbamoylamino)-6-oxohexanoic acid
CID 54934990
6-[(1-Oxo-1,4-thiazinane-4-carbonyl)amino]hexanoic acid
CID 54975163
5-Oxo-5-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]pentanoic acid
CID 54975308
6-(Thiomorpholine-4-carbonylamino)hexanoic acid
CID 61200470
6-[(1,1-Dioxothian-4-yl)carbamoylamino]hexanoic acid
CID 61201454

Frequently Asked Questions

What is the IUPAC name of 6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid (CID 43581886) is 6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid is O=C(O)CCCCC(=O)NC(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid?
The InChIKey is PNBBEDFJPMIATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6S/c14-9(3-1-2-4-10(15)16)12-11(17)13-5-7-20(18,19)8-6-13/h1-8H2,(H,15,16)(H,12,14,17).
What are the key properties of 6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid?
6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid has a molecular weight of 306.34 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 43581886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).