3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol

C15H23NO3S — CID 102886658

IUPAC3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCN2CCS(=O)(=O)CC2C)cc1
InChIInChI=1S/C15H23NO3S/c1-12-3-5-14(6-4-12)15(17)7-8-16-9-10-20(18,19)11-13(16)2/h3-6,13,15,17H,7-11H2,1-2H3
InChIKeyPLCBEAYBRQMAFY-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.54
Rot. Bonds4

About 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol

3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol (PubChem CID 102886658) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol
PubChem CID102886658
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCN2CCS(=O)(=O)CC2C)cc1
InChIInChI=1S/C15H23NO3S/c1-12-3-5-14(6-4-12)15(17)7-8-16-9-10-20(18,19)11-13(16)2/h3-6,13,15,17H,7-11H2,1-2H3
InChIKeyPLCBEAYBRQMAFY-UHFFFAOYSA-N
XLogP1.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102886666
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-one
CID 104926801
1-(2-fluorophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102886646
1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 102886494
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine
CID 102886557
1-(5-fluoro-2-pyridinyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102886648
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 63620086
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-one
CID 103935807
2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]propanoic acid
CID 102884376
1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 102886573

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol (CID 102886658) is 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol is Cc1ccc(C(O)CCN2CCS(=O)(=O)CC2C)cc1.
What is the InChIKey of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol?
The InChIKey is PLCBEAYBRQMAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12-3-5-14(6-4-12)15(17)7-8-16-9-10-20(18,19)11-13(16)2/h3-6,13,15,17H,7-11H2,1-2H3.
What are the key properties of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol?
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol has a molecular weight of 297.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 102886658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).