4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide

C16H23NO3S — CID 75439448

IUPAC4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCOc1ccccc1/C=C/CN1CCS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C16H23NO3S/c1-16(2)13-17(11-12-21(16,18)19)10-6-8-14-7-4-5-9-15(14)20-3/h4-9H,10-13H2,1-3H3/b8-6+
InChIKeyACDPMZYBBLKVRU-SOFGYWHQSA-N
MW309.43 g/mol
LogP2.22
Rot. Bonds4

About 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide

4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 75439448) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
PubChem CID75439448
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCOc1ccccc1/C=C/CN1CCS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C16H23NO3S/c1-16(2)13-17(11-12-21(16,18)19)10-6-8-14-7-4-5-9-15(14)20-3/h4-9H,10-13H2,1-3H3/b8-6+
InChIKeyACDPMZYBBLKVRU-SOFGYWHQSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide 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

1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781433
(4S)-4-(methoxymethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-ol
CID 72856628
methyl 3-fluoro-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidine-3-carboxylate
CID 84594370
4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 46966006
9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 127265694
(5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97126477
(6R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97154134
[(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol
CID 97137890
(Z)-but-2-enedioic acid;2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dihydroisoindole
CID 70616396
9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56754931
(4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azepan-4-ol
CID 129487837
4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methylpiperazine-2-carboxylic acid
CID 56704200

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide (CID 75439448) is 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide is COc1ccccc1/C=C/CN1CCS(=O)(=O)C(C)(C)C1.
What is the InChIKey of 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is ACDPMZYBBLKVRU-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-16(2)13-17(11-12-21(16,18)19)10-6-8-14-7-4-5-9-15(14)20-3/h4-9H,10-13H2,1-3H3/b8-6+.
What are the key properties of 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 309.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 75439448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).