2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol

C11H23NO3S — CID 106253912

IUPAC2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CN1CCCCS1(=O)=O
InChIInChI=1S/C11H23NO3S/c1-3-11(4-2,10-13)9-12-7-5-6-8-16(12,14)15/h13H,3-10H2,1-2H3
InChIKeyAQQDVWOEZKUUHC-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.21
Rot. Bonds5

About 2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol

2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol (PubChem CID 106253912) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol
PubChem CID106253912
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CN1CCCCS1(=O)=O
InChIInChI=1S/C11H23NO3S/c1-3-11(4-2,10-13)9-12-7-5-6-8-16(12,14)15/h13H,3-10H2,1-2H3
InChIKeyAQQDVWOEZKUUHC-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol (CID 106253912) is 2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CN1CCCCS1(=O)=O.
What is the InChIKey of 2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol?
The InChIKey is AQQDVWOEZKUUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-11(4-2,10-13)9-12-7-5-6-8-16(12,14)15/h13H,3-10H2,1-2H3.
What are the key properties of 2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol?
2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106253912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).