2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine

C5H12N4O2S — CID 110183111

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine
SMILESNC(N)=NN1CCS(=O)(=O)CC1
InChIInChI=1S/C5H12N4O2S/c6-5(7)8-9-1-3-12(10,11)4-2-9/h1-4H2,(H4,6,7,8)
InChIKeyDRFNRAXLTYRVCE-UHFFFAOYSA-N
MW192.24 g/mol
LogP-2.09
Rot. Bonds1

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine

2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine (PubChem CID 110183111) has the molecular formula C5H12N4O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine
PubChem CID110183111
Molecular FormulaC5H12N4O2S
Molecular Weight192.24 g/mol
Exact Mass192.07
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine
SMILESNC(N)=NN1CCS(=O)(=O)CC1
InChIInChI=1S/C5H12N4O2S/c6-5(7)8-9-1-3-12(10,11)4-2-9/h1-4H2,(H4,6,7,8)
InChIKeyDRFNRAXLTYRVCE-UHFFFAOYSA-N
XLogP-2.09
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-2.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine (CID 110183111) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine is NC(N)=NN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine?
The InChIKey is DRFNRAXLTYRVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2S/c6-5(7)8-9-1-3-12(10,11)4-2-9/h1-4H2,(H4,6,7,8).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine has a molecular weight of 192.24 g/mol, XLogP of -2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine is sourced from PubChem (CID 110183111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).