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

C10H21NO3S — CID 102885616

IUPAC2-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
SMILESCCC(C)(O)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C10H21NO3S/c1-4-10(3,12)8-11-5-6-15(13,14)7-9(11)2/h9,12H,4-8H2,1-3H3
InChIKeyVOTYWVSONZJPNN-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.27
Rot. Bonds3

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

2-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol (PubChem CID 102885616) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
PubChem CID102885616
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
SMILESCCC(C)(O)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C10H21NO3S/c1-4-10(3,12)8-11-5-6-15(13,14)7-9(11)2/h9,12H,4-8H2,1-3H3
InChIKeyVOTYWVSONZJPNN-UHFFFAOYSA-N
XLogP0.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The IUPAC name of 2-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol (CID 102885616) is 2-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The canonical SMILES for 2-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol is CCC(C)(O)CN1CCS(=O)(=O)CC1C.
What is the InChIKey of 2-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The InChIKey is VOTYWVSONZJPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-4-10(3,12)8-11-5-6-15(13,14)7-9(11)2/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
2-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol has a molecular weight of 235.35 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol is sourced from PubChem (CID 102885616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).