2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide

C15H18F3N3O4S — CID 139268257

IUPAC2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(S(=O)(=O)C(F)(F)F)cc2)N1
InChIInChI=1S/C15H18F3N3O4S/c1-8(19-14(23)12-7-13(22)21-9(2)20-12)10-3-5-11(6-4-10)26(24,25)15(16,17)18/h3-6,8-9,12,20H,7H2,1-2H3,(H,19,23)(H,21,22)/t8-,9?,12?/m1/s1
InChIKeyHRGGETWTMRODQS-YDNLMGDJSA-N
MW393.39 g/mol
LogP0.98
Rot. Bonds4

About 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide

2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide (PubChem CID 139268257) has the molecular formula C15H18F3N3O4S and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
PubChem CID139268257
Molecular FormulaC15H18F3N3O4S
Molecular Weight393.39 g/mol
Exact Mass393.10
IUPAC Name2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(S(=O)(=O)C(F)(F)F)cc2)N1
InChIInChI=1S/C15H18F3N3O4S/c1-8(19-14(23)12-7-13(22)21-9(2)20-12)10-3-5-11(6-4-10)26(24,25)15(16,17)18/h3-6,8-9,12,20H,7H2,1-2H3,(H,19,23)(H,21,22)/t8-,9?,12?/m1/s1
InChIKeyHRGGETWTMRODQS-YDNLMGDJSA-N
XLogP0.98
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide (CID 139268257) is 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide is CC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(S(=O)(=O)C(F)(F)F)cc2)N1.
What is the InChIKey of 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The InChIKey is HRGGETWTMRODQS-YDNLMGDJSA-N. The full InChI is InChI=1S/C15H18F3N3O4S/c1-8(19-14(23)12-7-13(22)21-9(2)20-12)10-3-5-11(6-4-10)26(24,25)15(16,17)18/h3-6,8-9,12,20H,7H2,1-2H3,(H,19,23)(H,21,22)/t8-,9?,12?/m1/s1.
What are the key properties of 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).