2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid

C13H26N2O4S — CID 102886124

IUPAC2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
SMILESCNC(C)(CCCCN1CCS(=O)(=O)CC1C)C(=O)O
InChIInChI=1S/C13H26N2O4S/c1-11-10-20(18,19)9-8-15(11)7-5-4-6-13(2,14-3)12(16)17/h11,14H,4-10H2,1-3H3,(H,16,17)
InChIKeyQLCIYLCVETZNOA-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.34
Rot. Bonds7

About 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid

2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid (PubChem CID 102886124) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
PubChem CID102886124
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
SMILESCNC(C)(CCCCN1CCS(=O)(=O)CC1C)C(=O)O
InChIInChI=1S/C13H26N2O4S/c1-11-10-20(18,19)9-8-15(11)7-5-4-6-13(2,14-3)12(16)17/h11,14H,4-10H2,1-3H3,(H,16,17)
InChIKeyQLCIYLCVETZNOA-UHFFFAOYSA-N
XLogP0.34
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol
CID 102887322
ethyl 2-amino-2-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoate
CID 102886125
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanoic acid
CID 102886138
2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
CID 102887294
7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
CID 102884168
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-amine
CID 102882862
methyl 2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate
CID 102886175
2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol
CID 102887298
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoic acid
CID 63633318
2-methyl-N-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propyl]propan-1-amine
CID 102886819
4-(3-azidopropyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885976

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid (CID 102886124) is 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid is CNC(C)(CCCCN1CCS(=O)(=O)CC1C)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid?
The InChIKey is QLCIYLCVETZNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-11-10-20(18,19)9-8-15(11)7-5-4-6-13(2,14-3)12(16)17/h11,14H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid?
2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid has a molecular weight of 306.43 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid is sourced from PubChem (CID 102886124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).