2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide

C15H32N2O4S2 — CID 158323141

IUPAC2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)N1CCCCS1(=O)=O.CC(C)(C)N1CCCS1(=O)=O
InChIInChI=1S/C8H17NO2S.C7H15NO2S/c1-8(2,3)9-6-4-5-7-12(9,10)11;1-7(2,3)8-5-4-6-11(8,9)10/h4-7H2,1-3H3;4-6H2,1-3H3
InChIKeyGPCAMZQLCPULJF-UHFFFAOYSA-N
MW368.57 g/mol
LogP2.03
Rot. Bonds

About 2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide

2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 158323141) has the molecular formula C15H32N2O4S2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
PubChem CID158323141
Molecular FormulaC15H32N2O4S2
Molecular Weight368.57 g/mol
Exact Mass368.18
IUPAC Name2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)N1CCCCS1(=O)=O.CC(C)(C)N1CCCS1(=O)=O
InChIInChI=1S/C8H17NO2S.C7H15NO2S/c1-8(2,3)9-6-4-5-7-12(9,10)11;1-7(2,3)8-5-4-6-11(8,9)10/h4-7H2,1-3H3;4-6H2,1-3H3
InChIKeyGPCAMZQLCPULJF-UHFFFAOYSA-N
XLogP2.03
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide 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-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide
CID 116816826
1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
CID 159975353
2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide
CID 58910215
3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine
CID 83822487
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutanoic acid
CID 64700411
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine
CID 117029844
3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol
CID 106172438
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid
CID 62049092
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-ethylbutanenitrile
CID 61122349
ethane;2-propan-2-ylthiazinane 1,1-dioxide
CID 164956679
3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol
CID 116816741
methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate
CID 71252862

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide (CID 158323141) is 2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide is CC(C)(C)N1CCCCS1(=O)=O.CC(C)(C)N1CCCS1(=O)=O.
What is the InChIKey of 2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is GPCAMZQLCPULJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S.C7H15NO2S/c1-8(2,3)9-6-4-5-7-12(9,10)11;1-7(2,3)8-5-4-6-11(8,9)10/h4-7H2,1-3H3;4-6H2,1-3H3.
What are the key properties of 2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide?
2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 368.57 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 158323141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).