cyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C9H15NO3S — CID 110721426

IUPACcyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(C1CCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H15NO3S/c11-9(8-2-1-3-8)10-4-6-14(12,13)7-5-10/h8H,1-7H2
InChIKeyBEKUIWAFHPBIMT-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.04
Rot. Bonds1

About cyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

cyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 110721426) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is cyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID110721426
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Namecyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(C1CCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H15NO3S/c11-9(8-2-1-3-8)10-4-6-14(12,13)7-5-10/h8H,1-7H2
InChIKeyBEKUIWAFHPBIMT-UHFFFAOYSA-N
XLogP0.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of cyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 110721426) is cyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for cyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for cyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is O=C(C1CCC1)N1CCS(=O)(=O)CC1.
What is the InChIKey of cyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is BEKUIWAFHPBIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c11-9(8-2-1-3-8)10-4-6-14(12,13)7-5-10/h8H,1-7H2.
What are the key properties of cyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
cyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 217.29 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 110721426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).