2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide

C10H22N2O2S — CID 117016531

IUPAC2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESCCC(C)N1CC(C)NCCCS1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-4-10(3)12-8-9(2)11-6-5-7-15(12,13)14/h9-11H,4-8H2,1-3H3
InChIKeyMAHQBMXEKBWLIX-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.80
Rot. Bonds2

About 2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide

2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide (PubChem CID 117016531) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide.

Molecular Properties

Compound Name2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide
PubChem CID117016531
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESCCC(C)N1CC(C)NCCCS1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-4-10(3)12-8-9(2)11-6-5-7-15(12,13)14/h9-11H,4-8H2,1-3H3
InChIKeyMAHQBMXEKBWLIX-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-yl-3-methyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117016711
2-ethyl-3-methyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117016572
(4S)-2,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide
CID 118994833
1-butan-2-yl-2,2,5-trimethylpiperazine
CID 79001867
2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117016628
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentan-1-ol
CID 106353513
2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117016571
(4aS,7aS)-6-butan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678881
(6S)-4-[(2S)-butan-2-yl]-6-methyl-1,4-thiazepane 1,1-dioxide
CID 124830139
4-(3-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 64943551
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropan-1-amine
CID 130158324
4-methyl-2-propan-2-ylthiazinane 1,1-dioxide
CID 67806027

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide?
The IUPAC name of 2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide (CID 117016531) is 2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide.
What is the SMILES notation for 2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide?
The canonical SMILES for 2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide is CCC(C)N1CC(C)NCCCS1(=O)=O.
What is the InChIKey of 2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide?
The InChIKey is MAHQBMXEKBWLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-10(3)12-8-9(2)11-6-5-7-15(12,13)14/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide?
2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide has a molecular weight of 234.36 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-methyl-1,2,5-thiadiazocane 1,1-dioxide is sourced from PubChem (CID 117016531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).