4-methanidyl-1,4-thiazinane 1,1-dioxide

C5H10NO2S- — CID 59835847

IUPAC4-methanidyl-1,4-thiazinane 1,1-dioxide
SMILES[CH2-]N1CCS(=O)(=O)CC1
InChIInChI=1S/C5H10NO2S/c1-6-2-4-9(7,8)5-3-6/h1-5H2/q-1
InChIKeyBKOKRBLYGGWMRT-UHFFFAOYSA-N
MW148.21 g/mol
LogP-0.49
Rot. Bonds

About 4-methanidyl-1,4-thiazinane 1,1-dioxide

4-methanidyl-1,4-thiazinane 1,1-dioxide (PubChem CID 59835847) has the molecular formula C5H10NO2S- and a molecular weight of 148.21 g/mol. Its IUPAC name is 4-methanidyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-methanidyl-1,4-thiazinane 1,1-dioxide
PubChem CID59835847
Molecular FormulaC5H10NO2S-
Molecular Weight148.21 g/mol
Exact Mass148.04
IUPAC Name4-methanidyl-1,4-thiazinane 1,1-dioxide
SMILES[CH2-]N1CCS(=O)(=O)CC1
InChIInChI=1S/C5H10NO2S/c1-6-2-4-9(7,8)5-3-6/h1-5H2/q-1
InChIKeyBKOKRBLYGGWMRT-UHFFFAOYSA-N
XLogP-0.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methanidyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-methanidyl-1,4-thiazinane 1,1-dioxide (CID 59835847) is 4-methanidyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-methanidyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-methanidyl-1,4-thiazinane 1,1-dioxide is [CH2-]N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-methanidyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is BKOKRBLYGGWMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO2S/c1-6-2-4-9(7,8)5-3-6/h1-5H2/q-1.
What are the key properties of 4-methanidyl-1,4-thiazinane 1,1-dioxide?
4-methanidyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 148.21 g/mol, XLogP of -0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanidyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 59835847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).