3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide

C12H16N2O4S2 — CID 18411977

IUPAC3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCSC2C(N)=O)cc1
InChIInChI=1S/C12H16N2O4S2/c1-18-9-3-5-10(6-4-9)20(16,17)14-7-2-8-19-12(14)11(13)15/h3-6,12H,2,7-8H2,1H3,(H2,13,15)
InChIKeyGUEADQBSBIFDLR-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.63
Rot. Bonds4

About 3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide

3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide (PubChem CID 18411977) has the molecular formula C12H16N2O4S2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide
PubChem CID18411977
Molecular FormulaC12H16N2O4S2
Molecular Weight316.40 g/mol
Exact Mass316.06
IUPAC Name3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCSC2C(N)=O)cc1
InChIInChI=1S/C12H16N2O4S2/c1-18-9-3-5-10(6-4-9)20(16,17)14-7-2-8-19-12(14)11(13)15/h3-6,12H,2,7-8H2,1H3,(H2,13,15)
InChIKeyGUEADQBSBIFDLR-UHFFFAOYSA-N
XLogP0.63
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-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

1-(4-methoxyphenyl)sulfonyl-3-oxoazepane-2-carboxamide
CID 173158629
(2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 11934998
4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide
CID 27304150
1-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]cyclopropan-1-ol
CID 101413142
4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline
CID 1373902
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
methyl 3-(4-butoxyphenyl)sulfonyl-1,3-thiazolidine-2-carboxylate
CID 3729057
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110394931
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone
CID 110394932
S-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl] ethanethioate
CID 15895345
[(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 124677567

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide (CID 18411977) is 3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCSC2C(N)=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide?
The InChIKey is GUEADQBSBIFDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S2/c1-18-9-3-5-10(6-4-9)20(16,17)14-7-2-8-19-12(14)11(13)15/h3-6,12H,2,7-8H2,1H3,(H2,13,15).
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide?
3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide is sourced from PubChem (CID 18411977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).