(2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone

C15H21NO5S — CID 125130310

IUPAC(2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(OC)c1
InChIInChI=1S/C15H21NO5S/c1-10-11(2)22(18,19)8-7-16(10)15(17)13-6-5-12(20-3)9-14(13)21-4/h5-6,9-11H,7-8H2,1-4H3/t10-,11-/m0/s1
InChIKeyMWFUTKBFNBLDNV-QWRGUYRKSA-N
MW327.40 g/mol
LogP1.35
Rot. Bonds3

About (2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone

(2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone (PubChem CID 125130310) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
PubChem CID125130310
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name(2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(OC)c1
InChIInChI=1S/C15H21NO5S/c1-10-11(2)22(18,19)8-7-16(10)15(17)13-6-5-12(20-3)9-14(13)21-4/h5-6,9-11H,7-8H2,1-4H3/t10-,11-/m0/s1
InChIKeyMWFUTKBFNBLDNV-QWRGUYRKSA-N
XLogP1.35
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 155873161
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 102787304
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
(2,4-dimethoxyphenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 55440342
[2-(bromomethyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 80659839
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
[2-(aminomethyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone;hydrochloride
CID 119467572
(1S,11R)-2-(2,4-dimethoxybenzoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199365
N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide
CID 136576718

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone (CID 125130310) is (2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone is COc1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
The InChIKey is MWFUTKBFNBLDNV-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-10-11(2)22(18,19)8-7-16(10)15(17)13-6-5-12(20-3)9-14(13)21-4/h5-6,9-11H,7-8H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
(2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone has a molecular weight of 327.40 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone is sourced from PubChem (CID 125130310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).