1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide

C15H20N2O3S — CID 56826172

IUPAC1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide
SMILESO=C(NC1CC(c2ccccc2)C1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H20N2O3S/c18-15(17-6-8-21(19,20)9-7-17)16-14-10-13(11-14)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,16,18)
InChIKeyWNELFDZAACRHAF-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.37
Rot. Bonds2

About 1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide

1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide (PubChem CID 56826172) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide
PubChem CID56826172
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide
SMILESO=C(NC1CC(c2ccccc2)C1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H20N2O3S/c18-15(17-6-8-21(19,20)9-7-17)16-14-10-13(11-14)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,16,18)
InChIKeyWNELFDZAACRHAF-UHFFFAOYSA-N
XLogP1.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide?
The IUPAC name of 1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide (CID 56826172) is 1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide?
The canonical SMILES for 1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide is O=C(NC1CC(c2ccccc2)C1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide?
The InChIKey is WNELFDZAACRHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-15(17-6-8-21(19,20)9-7-17)16-14-10-13(11-14)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,16,18).
What are the key properties of 1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide?
1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 56826172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).