(1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide

C17H26N2O3S — CID 98772351

IUPAC(1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide
SMILESCC(C)Oc1cccc(CNC(=O)N2CC[S@@](=O)[C@H](C)[C@@H]2C)c1
InChIInChI=1S/C17H26N2O3S/c1-12(2)22-16-7-5-6-15(10-16)11-18-17(20)19-8-9-23(21)14(4)13(19)3/h5-7,10,12-14H,8-9,11H2,1-4H3,(H,18,20)/t13-,14+,23+/m0/s1
InChIKeyFKPXUJHARBIBLR-QUVIJQCPSA-N
MW338.47 g/mol
LogP2.52
Rot. Bonds4

About (1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide

(1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide (PubChem CID 98772351) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name(1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide
PubChem CID98772351
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide
SMILESCC(C)Oc1cccc(CNC(=O)N2CC[S@@](=O)[C@H](C)[C@@H]2C)c1
InChIInChI=1S/C17H26N2O3S/c1-12(2)22-16-7-5-6-15(10-16)11-18-17(20)19-8-9-23(21)14(4)13(19)3/h5-7,10,12-14H,8-9,11H2,1-4H3,(H,18,20)/t13-,14+,23+/m0/s1
InChIKeyFKPXUJHARBIBLR-QUVIJQCPSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-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

Related Compounds

(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 98203018
1-[(4-fluorophenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 45021320
1-[(4-methylphenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 53284738
5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide
CID 86874503
(3R)-4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperazine-1-carboxamide
CID 174195949
(2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 94387178
1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 94108023
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 94108280
1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 51122734
2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 86880650
1-[(4-fluorophenyl)methylsulfonyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 38006078
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 46972890

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide?
The IUPAC name of (1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide (CID 98772351) is (1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for (1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide?
The canonical SMILES for (1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide is CC(C)Oc1cccc(CNC(=O)N2CC[S@@](=O)[C@H](C)[C@@H]2C)c1.
What is the InChIKey of (1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide?
The InChIKey is FKPXUJHARBIBLR-QUVIJQCPSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-12(2)22-16-7-5-6-15(10-16)11-18-17(20)19-8-9-23(21)14(4)13(19)3/h5-7,10,12-14H,8-9,11H2,1-4H3,(H,18,20)/t13-,14+,23+/m0/s1.
What are the key properties of (1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide?
(1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 98772351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).