4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid

C10H18N2O5S — CID 43581916

IUPAC4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18N2O5S/c1-11(4-2-3-9(13)14)10(15)12-5-7-18(16,17)8-6-12/h2-8H2,1H3,(H,13,14)
InChIKeyQZDXIXOYUMBZEL-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.37
Rot. Bonds4

About 4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid

4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid (PubChem CID 43581916) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid
PubChem CID43581916
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18N2O5S/c1-11(4-2-3-9(13)14)10(15)12-5-7-18(16,17)8-6-12/h2-8H2,1H3,(H,13,14)
InChIKeyQZDXIXOYUMBZEL-UHFFFAOYSA-N
XLogP-0.37
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid (CID 43581916) is 4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid?
The InChIKey is QZDXIXOYUMBZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-11(4-2-3-9(13)14)10(15)12-5-7-18(16,17)8-6-12/h2-8H2,1H3,(H,13,14).
What are the key properties of 4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid?
4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid has a molecular weight of 278.33 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 43581916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).