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

C9H19NO3S — CID 102885599

IUPAC3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
SMILESCC(O)C(C)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C9H19NO3S/c1-7-6-14(12,13)5-4-10(7)8(2)9(3)11/h7-9,11H,4-6H2,1-3H3
InChIKeyIJSFWUANQGUIGA-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.13
Rot. Bonds2

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

3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol (PubChem CID 102885599) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
PubChem CID102885599
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
SMILESCC(O)C(C)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C9H19NO3S/c1-7-6-14(12,13)5-4-10(7)8(2)9(3)11/h7-9,11H,4-6H2,1-3H3
InChIKeyIJSFWUANQGUIGA-UHFFFAOYSA-N
XLogP-0.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130503167
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 102886028
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882868
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 103878593
ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate
CID 102884445
2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
CID 102887307
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)propan-2-amine
CID 102882810
N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide
CID 102883753
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
CID 102884394
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667
3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine
CID 102884252
2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile
CID 102886069

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The IUPAC name of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol (CID 102885599) is 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol.
What is the SMILES notation for 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The canonical SMILES for 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol is CC(O)C(C)N1CCS(=O)(=O)CC1C.
What is the InChIKey of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
The InChIKey is IJSFWUANQGUIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-7-6-14(12,13)5-4-10(7)8(2)9(3)11/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol?
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol has a molecular weight of 221.32 g/mol, XLogP of -0.13, 2 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)butan-2-ol is sourced from PubChem (CID 102885599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).