4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide

C8H13N3O2S — CID 22662919

IUPAC4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C8H13N3O2S/c12-14(13)5-3-11(4-6-14)7-8-9-1-2-10-8/h1-2H,3-7H2,(H,9,10)
InChIKeyUUCFIZAZPIDHST-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.36
Rot. Bonds2

About 4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide

4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 22662919) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID22662919
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C8H13N3O2S/c12-14(13)5-3-11(4-6-14)7-8-9-1-2-10-8/h1-2H,3-7H2,(H,9,10)
InChIKeyUUCFIZAZPIDHST-UHFFFAOYSA-N
XLogP-0.36
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4aR*,7aS*)-1-(cyclopropylmethyl)-4-(1H-imidazol-2-ylmethyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70708422
Methylimidazolium methanesulfonate
CID 25185085
1-Butyl sulfonate-3-methyl imidazolium
CID 87223985
Dimethylimidazolium mesylate
CID 87464183
Imidazolium butanesulfonate
CID 87925728
Ethylimidazolium methanesulfonate
CID 129724680
1-Methylimidazolium 3-propanesulfonate
CID 129739671
Imidazolylthiazoline
CID 129801189
1-Methylimidazolium-3-butylsulfonate
CID 129824083
N-ethylimidazolium vinylsulfonate
CID 129846579
(2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine
CID 97098881
butane-1-sulfonic acid;fluoroform;2-methyl-1H-imidazole
CID 159879008

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide (CID 22662919) is 4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2ncc[nH]2)CC1.
What is the InChIKey of 4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is UUCFIZAZPIDHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c12-14(13)5-3-11(4-6-14)7-8-9-1-2-10-8/h1-2H,3-7H2,(H,9,10).
What are the key properties of 4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide?
4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 215.28 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylmethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 22662919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).