3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide

C15H25N3O2S — CID 128903854

IUPAC3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)n1cncc1CN1CCS(=O)(=O)CC1C1CCC1
InChIInChI=1S/C15H25N3O2S/c1-12(2)18-11-16-8-14(18)9-17-6-7-21(19,20)10-15(17)13-4-3-5-13/h8,11-13,15H,3-7,9-10H2,1-2H3
InChIKeyKBDWOIILJQITFK-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.86
Rot. Bonds4

About 3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide

3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 128903854) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID128903854
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)n1cncc1CN1CCS(=O)(=O)CC1C1CCC1
InChIInChI=1S/C15H25N3O2S/c1-12(2)18-11-16-8-14(18)9-17-6-7-21(19,20)10-15(17)13-4-3-5-13/h8,11-13,15H,3-7,9-10H2,1-2H3
InChIKeyKBDWOIILJQITFK-UHFFFAOYSA-N
XLogP1.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclobutyl-4-[(3-propan-2-ylimidazol-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-[(3-propan-2-ylimidazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678053
3-cyclobutyl-4-[(5-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 128711264
N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 66163826
[3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788624
N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine
CID 66162231
(2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine
CID 82756307
(1S,4S)-5-[(3-propan-2-ylimidazol-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-3-one
CID 154566931
1-(1,1-dioxothiolan-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 81039457
(3R,4R)-4-cyclohexyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 166268394
2-(2-cyclopentylpyrrolidin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66164793
[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol
CID 66154430
3-[chloro-(3-propan-2-ylimidazol-4-yl)methyl]thiolane 1,1-dioxide
CID 66130328

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide (CID 128903854) is 3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide is CC(C)n1cncc1CN1CCS(=O)(=O)CC1C1CCC1.
What is the InChIKey of 3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is KBDWOIILJQITFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(2)18-11-16-8-14(18)9-17-6-7-21(19,20)10-15(17)13-4-3-5-13/h8,11-13,15H,3-7,9-10H2,1-2H3.
What are the key properties of 3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 311.45 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 128903854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).