2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide

C11H19N3O2S — CID 71855029

IUPAC2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCn1cc(CN2CCS(=O)(=O)C(C)(C)C2)cn1
InChIInChI=1S/C11H19N3O2S/c1-11(2)9-14(4-5-17(11,15)16)8-10-6-12-13(3)7-10/h6-7H,4-5,8-9H2,1-3H3
InChIKeyREFSFXSIOVHLAZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.43
Rot. Bonds2

About 2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide

2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 71855029) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID71855029
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCn1cc(CN2CCS(=O)(=O)C(C)(C)C2)cn1
InChIInChI=1S/C11H19N3O2S/c1-11(2)9-14(4-5-17(11,15)16)8-10-6-12-13(3)7-10/h6-7H,4-5,8-9H2,1-3H3
InChIKeyREFSFXSIOVHLAZ-UHFFFAOYSA-N
XLogP0.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 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

(1-methyl-1H-pyrazol-4-yl)methanesulfonamide
CID 50988991
2-[(4-Methylpyrazol-1-yl)methyl]-4-(2-methylsulfonylethyl)morpholine
CID 53565288
2-[(4-Methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)ethyl]morpholine
CID 53571842
2-[(4-Methylpyrazol-1-yl)methyl]-4-(3-methylsulfonylpropyl)morpholine
CID 53581676
N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 53621134
4-Methyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 53626617
2-[(4-Methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine
CID 56780379
4-(1-Propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine
CID 71688426
2-[(4-Methylpyrazol-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine
CID 72141347
3-[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 72141875
N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 75425329
3-(1-ethyl-1H-pyrazol-4-yl)-1lambda6-thiomorpholine-1,1-dione
CID 75525951

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide (CID 71855029) is 2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide is Cn1cc(CN2CCS(=O)(=O)C(C)(C)C2)cn1.
What is the InChIKey of 2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is REFSFXSIOVHLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2)9-14(4-5-17(11,15)16)8-10-6-12-13(3)7-10/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 257.36 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 71855029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).