(1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide

C15H20F2N2O3S — CID 97228354

IUPAC(1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCc1ccc(NC(=O)N2CC[S@@](=O)C(C)(C)C2)cc1OC(F)F
InChIInChI=1S/C15H20F2N2O3S/c1-10-4-5-11(8-12(10)22-13(16)17)18-14(20)19-6-7-23(21)15(2,3)9-19/h4-5,8,13H,6-7,9H2,1-3H3,(H,18,20)/t23-/m1/s1
InChIKeyWCVUQNYHBGGSDZ-HSZRJFAPSA-N
MW346.40 g/mol
LogP2.97
Rot. Bonds3

About (1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide

(1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide (PubChem CID 97228354) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is (1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name(1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide
PubChem CID97228354
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC Name(1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCc1ccc(NC(=O)N2CC[S@@](=O)C(C)(C)C2)cc1OC(F)F
InChIInChI=1S/C15H20F2N2O3S/c1-10-4-5-11(8-12(10)22-13(16)17)18-14(20)19-6-7-23(21)15(2,3)9-19/h4-5,8,13H,6-7,9H2,1-3H3,(H,18,20)/t23-/m1/s1
InChIKeyWCVUQNYHBGGSDZ-HSZRJFAPSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of (1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide (CID 97228354) is (1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for (1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for (1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide is Cc1ccc(NC(=O)N2CC[S@@](=O)C(C)(C)C2)cc1OC(F)F.
What is the InChIKey of (1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide?
The InChIKey is WCVUQNYHBGGSDZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c1-10-4-5-11(8-12(10)22-13(16)17)18-14(20)19-6-7-23(21)15(2,3)9-19/h4-5,8,13H,6-7,9H2,1-3H3,(H,18,20)/t23-/m1/s1.
What are the key properties of (1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide?
(1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[3-(difluoromethoxy)-4-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 97228354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).