2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide

C17H26N2O2S — CID 100845464

IUPAC2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1CC[S@](=O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C17H26N2O2S/c1-5-15-8-6-7-12(2)17(15)18-16(20)11-19-9-10-22(21)14(4)13(19)3/h6-8,13-14H,5,9-11H2,1-4H3,(H,18,20)/t13-,14-,22-/m0/s1
InChIKeyBNGWGYIPVBFIDM-OKHZJLECSA-N
MW322.47 g/mol
LogP2.34
Rot. Bonds4

About 2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide

2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 100845464) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID100845464
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1CC[S@](=O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C17H26N2O2S/c1-5-15-8-6-7-12(2)17(15)18-16(20)11-19-9-10-22(21)14(4)13(19)3/h6-8,13-14H,5,9-11H2,1-4H3,(H,18,20)/t13-,14-,22-/m0/s1
InChIKeyBNGWGYIPVBFIDM-OKHZJLECSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide 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-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide (CID 100845464) is 2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN1CC[S@](=O)[C@@H](C)[C@@H]1C.
What is the InChIKey of 2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is BNGWGYIPVBFIDM-OKHZJLECSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-5-15-8-6-7-12(2)17(15)18-16(20)11-19-9-10-22(21)14(4)13(19)3/h6-8,13-14H,5,9-11H2,1-4H3,(H,18,20)/t13-,14-,22-/m0/s1.
What are the key properties of 2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 322.47 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 100845464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).