4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide

C8H16N2O2S2 — CID 43581605

IUPAC4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CC2CSCN2)CC1
InChIInChI=1S/C8H16N2O2S2/c11-14(12)3-1-10(2-4-14)5-8-6-13-7-9-8/h8-9H,1-7H2
InChIKeyLFIMTXYNJKBUEB-UHFFFAOYSA-N
MW236.36 g/mol
LogP-0.62
Rot. Bonds2

About 4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide

4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 43581605) has the molecular formula C8H16N2O2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID43581605
Molecular FormulaC8H16N2O2S2
Molecular Weight236.36 g/mol
Exact Mass236.07
IUPAC Name4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CC2CSCN2)CC1
InChIInChI=1S/C8H16N2O2S2/c11-14(12)3-1-10(2-4-14)5-8-6-13-7-9-8/h8-9H,1-7H2
InChIKeyLFIMTXYNJKBUEB-UHFFFAOYSA-N
XLogP-0.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazolidine
CID 43199782
N,N-dimethyl-1-(1,3-thiazolidin-4-ylmethyl)piperidin-4-amine
CID 43586140
4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazolidine
CID 43373036
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyrrolidin-3-ol
CID 66054971
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine
CID 43620480
2,2-dimethyl-4-(1,3-thiazolidin-4-ylmethyl)morpholine
CID 43592953
3-(pyrrolidin-1-ylmethyl)-1,5,2-dithiazepane 1,1-dioxide
CID 75632447
2-(1,3-thiazolidin-4-yl)acetamide
CID 139972017
4-[(2,6-dimethylpiperidin-1-yl)methyl]-1,3-thiazolidine
CID 43199796
4-[(2-ethylpiperidin-1-yl)methyl]-1,3-thiazolidine
CID 43266591
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-amine
CID 66010079
N,1-dimethyl-N-(1,3-thiazolidin-4-ylmethyl)piperidin-4-amine
CID 43199704

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide (CID 43581605) is 4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(CC2CSCN2)CC1.
What is the InChIKey of 4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is LFIMTXYNJKBUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S2/c11-14(12)3-1-10(2-4-14)5-8-6-13-7-9-8/h8-9H,1-7H2.
What are the key properties of 4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide?
4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 236.36 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 43581605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).