1,1-dioxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide

C12H21F3N2O3S — CID 75448769

IUPAC1,1-dioxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide
SMILESCC(C)(C)CC(NC(=O)N1CCS(=O)(=O)CC1)C(F)(F)F
InChIInChI=1S/C12H21F3N2O3S/c1-11(2,3)8-9(12(13,14)15)16-10(18)17-4-6-21(19,20)7-5-17/h9H,4-8H2,1-3H3,(H,16,18)
InChIKeySJPVQZSODQSQIN-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.79
Rot. Bonds2

About 1,1-dioxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide

1,1-dioxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide (PubChem CID 75448769) has the molecular formula C12H21F3N2O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1,1-dioxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide
PubChem CID75448769
Molecular FormulaC12H21F3N2O3S
Molecular Weight330.37 g/mol
Exact Mass330.12
IUPAC Name1,1-dioxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide
SMILESCC(C)(C)CC(NC(=O)N1CCS(=O)(=O)CC1)C(F)(F)F
InChIInChI=1S/C12H21F3N2O3S/c1-11(2,3)8-9(12(13,14)15)16-10(18)17-4-6-21(19,20)7-5-17/h9H,4-8H2,1-3H3,(H,16,18)
InChIKeySJPVQZSODQSQIN-UHFFFAOYSA-N
XLogP1.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.79
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-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide?
The IUPAC name of 1,1-dioxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide (CID 75448769) is 1,1-dioxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide?
The canonical SMILES for 1,1-dioxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide is CC(C)(C)CC(NC(=O)N1CCS(=O)(=O)CC1)C(F)(F)F.
What is the InChIKey of 1,1-dioxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide?
The InChIKey is SJPVQZSODQSQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3S/c1-11(2,3)8-9(12(13,14)15)16-10(18)17-4-6-21(19,20)7-5-17/h9H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 1,1-dioxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide?
1,1-dioxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 1.79, 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-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 75448769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).