2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol

C11H23NO3S — CID 102885603

IUPAC2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
SMILESCC1CS(=O)(=O)CCN1CC(C)(O)C(C)C
InChIInChI=1S/C11H23NO3S/c1-9(2)11(4,13)8-12-5-6-16(14,15)7-10(12)3/h9-10,13H,5-8H2,1-4H3
InChIKeyNFBZEPJOFRODEC-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.51
Rot. Bonds3

About 2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol

2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol (PubChem CID 102885603) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
PubChem CID102885603
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
SMILESCC1CS(=O)(=O)CCN1CC(C)(O)C(C)C
InChIInChI=1S/C11H23NO3S/c1-9(2)11(4,13)8-12-5-6-16(14,15)7-10(12)3/h9-10,13H,5-8H2,1-4H3
InChIKeyNFBZEPJOFRODEC-UHFFFAOYSA-N
XLogP0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol with MolForge

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Related Compounds

(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-ol
CID 104550463
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-ol
CID 104550499
(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-ol
CID 154680399
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-ol
CID 60489740
4-(2-Methylsulfonylethyl)-1-propan-2-ylpiperidin-4-ol
CID 65147125
1-(1,1-Dioxothiolan-3-yl)-3-propan-2-ylazetidin-3-ol
CID 65938449
1-(3-Ethylsulfonylpropyl)-3-propan-2-ylazetidin-3-ol
CID 65939051
1,1-Dioxo-4-[[pentyl(propan-2-yl)amino]methyl]thian-4-ol
CID 71914293
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-methylbutan-2-ol
CID 79361324
3-[(3-Methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol
CID 102885614
2-Methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 102885616
1-Amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 102887351

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol (CID 102885603) is 2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol is CC1CS(=O)(=O)CCN1CC(C)(O)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The InChIKey is NFBZEPJOFRODEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-9(2)11(4,13)8-12-5-6-16(14,15)7-10(12)3/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol has a molecular weight of 249.38 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol is sourced from PubChem (CID 102885603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).