2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane

C13H26N2O4S — CID 159666639

IUPAC2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane
SMILESC.CCCCN1C(=O)C(C)C(=O)N(CCCC)S1(=O)=O
InChIInChI=1S/C12H22N2O4S.CH4/c1-4-6-8-13-11(15)10(3)12(16)14(9-7-5-2)19(13,17)18;/h10H,4-9H2,1-3H3;1H4
InChIKeyMTMIJWAEXPYVNU-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.77
Rot. Bonds6

About 2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane

2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane (PubChem CID 159666639) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane.

Molecular Properties

Compound Name2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane
PubChem CID159666639
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane
SMILESC.CCCCN1C(=O)C(C)C(=O)N(CCCC)S1(=O)=O
InChIInChI=1S/C12H22N2O4S.CH4/c1-4-6-8-13-11(15)10(3)12(16)14(9-7-5-2)19(13,17)18;/h10H,4-9H2,1-3H3;1H4
InChIKeyMTMIJWAEXPYVNU-UHFFFAOYSA-N
XLogP1.77
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane 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

5,7-dibutyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
CID 118596999
2,4-dibromo-6-butyl-5-methyl-1,1-dioxo-1,2,6-thiadiazin-3-one
CID 12665801
8-butyl-6-methyl-8aH-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5,7-dione
CID 21151748
(3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one
CID 131848123
calcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
CID 175609484
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane
CID 144937454
(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one
CID 15563606
3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83238523
1-hexadecyl-3,4-dimethylpyrrolidine-2,5-dione
CID 58800399
1,3-diethyl-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 59065440

Frequently Asked Questions

What is the IUPAC name of 2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane?
The IUPAC name of 2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane (CID 159666639) is 2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane.
What is the SMILES notation for 2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane?
The canonical SMILES for 2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane is C.CCCCN1C(=O)C(C)C(=O)N(CCCC)S1(=O)=O.
What is the InChIKey of 2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane?
The InChIKey is MTMIJWAEXPYVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S.CH4/c1-4-6-8-13-11(15)10(3)12(16)14(9-7-5-2)19(13,17)18;/h10H,4-9H2,1-3H3;1H4.
What are the key properties of 2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane?
2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane has a molecular weight of 306.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane is sourced from PubChem (CID 159666639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).