(2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol

C9H17NO4S — CID 170452583

IUPAC(2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol
SMILESO=S1(=O)CCN(CC2CCCO2)C[C@H]1O
InChIInChI=1S/C9H17NO4S/c11-9-7-10(3-5-15(9,12)13)6-8-2-1-4-14-8/h8-9,11H,1-7H2/t8?,9-/m0/s1
InChIKeyBXKKQRFSZARPRL-GKAPJAKFSA-N
MW235.30 g/mol
LogP-0.79
Rot. Bonds2

About (2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol

(2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol (PubChem CID 170452583) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is (2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol.

Molecular Properties

Compound Name(2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol
PubChem CID170452583
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name(2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol
SMILESO=S1(=O)CCN(CC2CCCO2)C[C@H]1O
InChIInChI=1S/C9H17NO4S/c11-9-7-10(3-5-15(9,12)13)6-8-2-1-4-14-8/h8-9,11H,1-7H2/t8?,9-/m0/s1
InChIKeyBXKKQRFSZARPRL-GKAPJAKFSA-N
XLogP-0.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-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

N-ethyl-2-ethylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine
CID 71930698
2-methylsulfonyl-N-(2-methylsulfonylethyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 71208616
1-Hydroxy-5-morpholin-4-ylpentane-3-sulfonic acid
CID 139692926
4-(3-Ethoxypiperidin-1-yl)-1,1-dioxothiolan-3-ol
CID 54989649
1,1-Dioxo-4-(3-propoxypiperidin-1-yl)thiolan-3-ol
CID 54990387
2-(1,1-Dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol
CID 60885326
4-[Methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol
CID 61431833
4-[Methyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol
CID 61432518
4-[Ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol
CID 61435691
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,1-dioxothiolan-3-ol
CID 61668204
[5-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanamine
CID 62432355
N-ethyl-2-hydroxy-N-(oxolan-2-ylmethyl)ethanesulfonamide
CID 65741337

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol?
The IUPAC name of (2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol (CID 170452583) is (2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol.
What is the SMILES notation for (2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol?
The canonical SMILES for (2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol is O=S1(=O)CCN(CC2CCCO2)C[C@H]1O.
What is the InChIKey of (2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol?
The InChIKey is BXKKQRFSZARPRL-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H17NO4S/c11-9-7-10(3-5-15(9,12)13)6-8-2-1-4-14-8/h8-9,11H,1-7H2/t8?,9-/m0/s1.
What are the key properties of (2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol?
(2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol has a molecular weight of 235.30 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol is sourced from PubChem (CID 170452583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).