6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide

C24H49NO2S — CID 139460148

IUPAC6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide
SMILESCCCCCCCC(C)(CCCC)C1CCCN(C(C)(CC)CCC)S1(=O)=O
InChIInChI=1S/C24H49NO2S/c1-7-11-13-14-15-20-23(5,19-12-8-2)22-17-16-21-25(28(22,26)27)24(6,10-4)18-9-3/h22H,7-21H2,1-6H3
InChIKeyMUIWZEIRJLTFHB-UHFFFAOYSA-N
MW415.73 g/mol
LogP7.31
Rot. Bonds14

About 6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide

6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide (PubChem CID 139460148) has the molecular formula C24H49NO2S and a molecular weight of 415.73 g/mol. Its IUPAC name is 6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide
PubChem CID139460148
Molecular FormulaC24H49NO2S
Molecular Weight415.73 g/mol
Exact Mass415.35
IUPAC Name6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide
SMILESCCCCCCCC(C)(CCCC)C1CCCN(C(C)(CC)CCC)S1(=O)=O
InChIInChI=1S/C24H49NO2S/c1-7-11-13-14-15-20-23(5,19-12-8-2)22-17-16-21-25(28(22,26)27)24(6,10-4)18-9-3/h22H,7-21H2,1-6H3
InChIKeyMUIWZEIRJLTFHB-UHFFFAOYSA-N
XLogP7.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.73
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide
CID 138503013
1-(6-methyldodecan-6-yl)pyrrolidin-2-amine
CID 170325114
2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide
CID 58910215
4-(3-methylheptan-3-yl)-1,4-thiazinane 1,1-dioxide
CID 139320074
(2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine
CID 146553988
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
1-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331
1-(3-methylheptan-3-yl)piperidine
CID 154999026
3-(5-methyldodecan-5-yl)piperidine
CID 170226915
1-methyl-3-(5-methylnonan-5-yl)pyrrolidine
CID 170333732
1-[2-(5-methylnonan-5-yl)pyrrolidin-1-yl]but-2-yn-1-one
CID 155231817
1-(7-methyltridecan-7-yl)pyrrolidine-3-carboxylic acid
CID 138747066

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide?
The IUPAC name of 6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide (CID 139460148) is 6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide.
What is the SMILES notation for 6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide?
The canonical SMILES for 6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide is CCCCCCCC(C)(CCCC)C1CCCN(C(C)(CC)CCC)S1(=O)=O.
What is the InChIKey of 6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide?
The InChIKey is MUIWZEIRJLTFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO2S/c1-7-11-13-14-15-20-23(5,19-12-8-2)22-17-16-21-25(28(22,26)27)24(6,10-4)18-9-3/h22H,7-21H2,1-6H3.
What are the key properties of 6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide?
6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide has a molecular weight of 415.73 g/mol, XLogP of 7.31, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyldodecan-5-yl)-2-(3-methylhexan-3-yl)thiazinane 1,1-dioxide is sourced from PubChem (CID 139460148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).