3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide

C7H11N3O2S — CID 105453528

IUPAC3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(c2cnc[nH]2)C1
InChIInChI=1S/C7H11N3O2S/c11-13(12)2-1-9-7(4-13)6-3-8-5-10-6/h3,5,7,9H,1-2,4H2,(H,8,10)
InChIKeyRWHBPNSFUCHVSC-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.53
Rot. Bonds1

About 3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide

3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 105453528) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID105453528
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(c2cnc[nH]2)C1
InChIInChI=1S/C7H11N3O2S/c11-13(12)2-1-9-7(4-13)6-3-8-5-10-6/h3,5,7,9H,1-2,4H2,(H,8,10)
InChIKeyRWHBPNSFUCHVSC-UHFFFAOYSA-N
XLogP-0.53
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide (CID 105453528) is 3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCNC(c2cnc[nH]2)C1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is RWHBPNSFUCHVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c11-13(12)2-1-9-7(4-13)6-3-8-5-10-6/h3,5,7,9H,1-2,4H2,(H,8,10).
What are the key properties of 3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide?
3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 201.25 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 105453528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).