1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol

C10H21NO3S — CID 106291187

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO3S/c1-3-4-10(2,12)9-11-5-7-15(13,14)8-6-11/h12H,3-9H2,1-2H3
InChIKeyIVNWUNZMONMNNY-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.27
Rot. Bonds4

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol

1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol (PubChem CID 106291187) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol
PubChem CID106291187
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO3S/c1-3-4-10(2,12)9-11-5-7-15(13,14)8-6-11/h12H,3-9H2,1-2H3
InChIKeyIVNWUNZMONMNNY-UHFFFAOYSA-N
XLogP0.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-Propan-2-ylsulfonylpropyl)-3-(trifluoromethyl)piperidin-3-ol
CID 132373016
2-[1-(2-Ethylsulfonylethyl)-1-methylpiperidin-1-ium-4-yl]propan-2-ol
CID 59216606
2-[1-(2-Ethylsulfonylethyl)piperidin-4-yl]propan-2-ol
CID 59216610
1-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]-3-propan-2-ylcyclobutan-1-ol
CID 68067903
2-Methyl-1-thiomorpholin-4-ylpentan-2-ol
CID 69729823
Deuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol
CID 90823579
Deuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)-1-methylpiperidin-1-ium-4-yl]propan-2-ol
CID 90921658
1-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclobutan-1-ol
CID 123286451
Ethane;3-(methylaminomethyl)-1,1-dioxothian-3-ol
CID 177955329
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-ol
CID 60489740
1-(2-Ethylsulfonylethyl)piperidin-3-ol
CID 62020762
4-[(1-Hydroxycyclohexyl)methyl]-1lambda6-thiomorpholine-1,1-dione
CID 63633097

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol (CID 106291187) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol is CCCC(C)(O)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol?
The InChIKey is IVNWUNZMONMNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-4-10(2,12)9-11-5-7-15(13,14)8-6-11/h12H,3-9H2,1-2H3.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol has a molecular weight of 235.35 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol is sourced from PubChem (CID 106291187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).