5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid

C10H16N2O6S — CID 43581888

IUPAC5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H16N2O6S/c13-8(2-1-3-9(14)15)11-10(16)12-4-6-19(17,18)7-5-12/h1-7H2,(H,14,15)(H,11,13,16)
InChIKeyDFGMAEWYUMGCKY-UHFFFAOYSA-N
MW292.31 g/mol
LogP-0.79
Rot. Bonds4

About 5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid

5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 43581888) has the molecular formula C10H16N2O6S and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid
PubChem CID43581888
Molecular FormulaC10H16N2O6S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H16N2O6S/c13-8(2-1-3-9(14)15)11-10(16)12-4-6-19(17,18)7-5-12/h1-7H2,(H,14,15)(H,11,13,16)
InChIKeyDFGMAEWYUMGCKY-UHFFFAOYSA-N
XLogP-0.79
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid (CID 43581888) is 5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NC(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is DFGMAEWYUMGCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6S/c13-8(2-1-3-9(14)15)11-10(16)12-4-6-19(17,18)7-5-12/h1-7H2,(H,14,15)(H,11,13,16).
What are the key properties of 5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid?
5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 292.31 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 43581888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).