2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide

C17H26N2O3S — CID 71916967

IUPAC2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide
SMILESCC(C)OCc1cccc(NC(=O)N2CCS(=O)C(C)(C)C2)c1
InChIInChI=1S/C17H26N2O3S/c1-13(2)22-11-14-6-5-7-15(10-14)18-16(20)19-8-9-23(21)17(3,4)12-19/h5-7,10,13H,8-9,11-12H2,1-4H3,(H,18,20)
InChIKeyBUQUEDDADBBUDM-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.99
Rot. Bonds4

About 2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide

2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide (PubChem CID 71916967) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide
PubChem CID71916967
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide
SMILESCC(C)OCc1cccc(NC(=O)N2CCS(=O)C(C)(C)C2)c1
InChIInChI=1S/C17H26N2O3S/c1-13(2)22-11-14-6-5-7-15(10-14)18-16(20)19-8-9-23(21)17(3,4)12-19/h5-7,10,13H,8-9,11-12H2,1-4H3,(H,18,20)
InChIKeyBUQUEDDADBBUDM-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-oxo-N-(3-pyrrol-1-ylphenyl)-1,4-thiazinane-4-carboxamide
CID 91659534
3-(3-amino-3-oxopropyl)-N-[3-(propan-2-yloxymethyl)phenyl]piperidine-1-carboxamide
CID 56826999
(9aS)-N-[3-(propan-2-yloxymethyl)phenyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 124888522
N-[3-(propan-2-yloxymethyl)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 56826998
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119306290
N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide
CID 115581934
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119753968
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86862579
(2R)-N-[3-(propan-2-yloxymethyl)phenyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 95235839
2-[2-oxo-2-[3-(propan-2-yloxymethyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108696

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide?
The IUPAC name of 2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide (CID 71916967) is 2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide is CC(C)OCc1cccc(NC(=O)N2CCS(=O)C(C)(C)C2)c1.
What is the InChIKey of 2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide?
The InChIKey is BUQUEDDADBBUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13(2)22-11-14-6-5-7-15(10-14)18-16(20)19-8-9-23(21)17(3,4)12-19/h5-7,10,13H,8-9,11-12H2,1-4H3,(H,18,20).
What are the key properties of 2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide?
2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 71916967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).