2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide

C15H23N3O4S — CID 49353473

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
SMILESCOc1c(C)cnc(CNC(=O)CN2CCS(=O)(=O)CC2)c1C
InChIInChI=1S/C15H23N3O4S/c1-11-8-16-13(12(2)15(11)22-3)9-17-14(19)10-18-4-6-23(20,21)7-5-18/h8H,4-7,9-10H2,1-3H3,(H,17,19)
InChIKeyBIMJAGDYXPZIHR-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.05
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide (PubChem CID 49353473) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
PubChem CID49353473
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
SMILESCOc1c(C)cnc(CNC(=O)CN2CCS(=O)(=O)CC2)c1C
InChIInChI=1S/C15H23N3O4S/c1-11-8-16-13(12(2)15(11)22-3)9-17-14(19)10-18-4-6-23(20,21)7-5-18/h8H,4-7,9-10H2,1-3H3,(H,17,19)
InChIKeyBIMJAGDYXPZIHR-UHFFFAOYSA-N
XLogP0.05
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide with MolForge

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 56505076
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 51080554
tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 49354339
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentanamide
CID 95315582
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62025945
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733065
2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]ethanethioamide
CID 63336983
trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95302740
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1-dioxothiolane-3-carboxylic acid
CID 78991972
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 49353824
3-(benzimidazol-1-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide
CID 131929542
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide
CID 43310961

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide (CID 49353473) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide is COc1c(C)cnc(CNC(=O)CN2CCS(=O)(=O)CC2)c1C.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide?
The InChIKey is BIMJAGDYXPZIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11-8-16-13(12(2)15(11)22-3)9-17-14(19)10-18-4-6-23(20,21)7-5-18/h8H,4-7,9-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide has a molecular weight of 341.43 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 49353473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).