4-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide

C10H18N2O2S — CID 116679441

IUPAC4-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(CN1CCS(=O)(=O)CC1)=C1CNC1
InChIInChI=1S/C10H18N2O2S/c1-9(10-6-11-7-10)8-12-2-4-15(13,14)5-3-12/h11H,2-8H2,1H3
InChIKeyHJKNTBXMALFAJK-UHFFFAOYSA-N
MW230.33 g/mol
LogP-0.36
Rot. Bonds2

About 4-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide

4-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 116679441) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide
PubChem CID116679441
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(CN1CCS(=O)(=O)CC1)=C1CNC1
InChIInChI=1S/C10H18N2O2S/c1-9(10-6-11-7-10)8-12-2-4-15(13,14)5-3-12/h11H,2-8H2,1H3
InChIKeyHJKNTBXMALFAJK-UHFFFAOYSA-N
XLogP-0.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide (CID 116679441) is 4-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide is CC(CN1CCS(=O)(=O)CC1)=C1CNC1.
What is the InChIKey of 4-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is HJKNTBXMALFAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-9(10-6-11-7-10)8-12-2-4-15(13,14)5-3-12/h11H,2-8H2,1H3.
What are the key properties of 4-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide?
4-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 230.33 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-[2-(azetidin-3-ylidene)propyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 116679441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).