2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid

C11H21NO4S — CID 102884394

IUPAC2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
SMILESCCCCC(C(=O)O)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C11H21NO4S/c1-3-4-5-10(11(13)14)12-6-7-17(15,16)8-9(12)2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyOKDLUKJNZHQAIT-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.75
Rot. Bonds5

About 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid

2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid (PubChem CID 102884394) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid.

Molecular Properties

Compound Name2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
PubChem CID102884394
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
SMILESCCCCC(C(=O)O)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C11H21NO4S/c1-3-4-5-10(11(13)14)12-6-7-17(15,16)8-9(12)2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyOKDLUKJNZHQAIT-UHFFFAOYSA-N
XLogP0.75
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate
CID 102884445
(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one
CID 103831799
N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide
CID 102883753
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130503167
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 102886028
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propylpentan-1-amine
CID 102886877
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 102885599
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882868
2-(3-methylmorpholin-4-yl)pentanoic acid
CID 83041172
2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentane-1-thiol
CID 102887575
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid
CID 61036684
7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
CID 102884168

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid?
The IUPAC name of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid (CID 102884394) is 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid.
What is the SMILES notation for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid?
The canonical SMILES for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid is CCCCC(C(=O)O)N1CCS(=O)(=O)CC1C.
What is the InChIKey of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid?
The InChIKey is OKDLUKJNZHQAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-4-5-10(11(13)14)12-6-7-17(15,16)8-9(12)2/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid?
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid has a molecular weight of 263.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid is sourced from PubChem (CID 102884394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).