4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide

C13H23N3O2S — CID 18712926

IUPAC4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1nccn1CC1CN(C(C)(C)C)CCS1(=O)=O
InChIInChI=1S/C13H23N3O2S/c1-11-14-5-6-15(11)9-12-10-16(13(2,3)4)7-8-19(12,17)18/h5-6,12H,7-10H2,1-4H3
InChIKeyPSVUZFKDBLCTHA-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.09
Rot. Bonds2

About 4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide

4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 18712926) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID18712926
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1nccn1CC1CN(C(C)(C)C)CCS1(=O)=O
InChIInChI=1S/C13H23N3O2S/c1-11-14-5-6-15(11)9-12-10-16(13(2,3)4)7-8-19(12,17)18/h5-6,12H,7-10H2,1-4H3
InChIKeyPSVUZFKDBLCTHA-UHFFFAOYSA-N
XLogP1.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-2-[(2-methylimidazol-1-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

(3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine)
CID 157430547
tert-butyl 3-[(2-methylimidazol-1-yl)methyl]azetidine-1-carboxylate
CID 154882833
(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbaldehyde
CID 142002069
1-(azetidin-3-ylmethyl)-2-methylimidazole
CID 91812453
2-methyl-1-(2-methylimidazol-1-yl)propan-2-ol
CID 19434665
methyl-[2-[(4-methylimidazol-1-yl)methyl]-1,1-dioxo-1,4-thiazinan-4-yl]borinic acid
CID 18713298
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carbaldehyde
CID 62656814
alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine
CID 56861899
4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine
CID 77084505
4-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-4-oxobutanoic acid
CID 126451472
1-(3,3-difluorobutyl)-2-methylimidazole
CID 126793824

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide (CID 18712926) is 4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide is Cc1nccn1CC1CN(C(C)(C)C)CCS1(=O)=O.
What is the InChIKey of 4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is PSVUZFKDBLCTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-11-14-5-6-15(11)9-12-10-16(13(2,3)4)7-8-19(12,17)18/h5-6,12H,7-10H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide?
4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 285.41 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(2-methylimidazol-1-yl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 18712926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).