[(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol

C10H19NO4S — CID 178190737

IUPAC[(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol
SMILESO=S1(=O)CCN(C[C@@H]2CC[C@H](CO)O2)CC1
InChIInChI=1S/C10H19NO4S/c12-8-10-2-1-9(15-10)7-11-3-5-16(13,14)6-4-11/h9-10,12H,1-8H2/t9-,10+/m0/s1
InChIKeyHUJNSJUXNWYDHX-VHSXEESVSA-N
MW249.33 g/mol
LogP-0.74
Rot. Bonds3

About [(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol

[(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol (PubChem CID 178190737) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is [(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol
PubChem CID178190737
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name[(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol
SMILESO=S1(=O)CCN(C[C@@H]2CC[C@H](CO)O2)CC1
InChIInChI=1S/C10H19NO4S/c12-8-10-2-1-9(15-10)7-11-3-5-16(13,14)6-4-11/h9-10,12H,1-8H2/t9-,10+/m0/s1
InChIKeyHUJNSJUXNWYDHX-VHSXEESVSA-N
XLogP-0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol 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 [(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol?
The IUPAC name of [(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol (CID 178190737) is [(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol?
The canonical SMILES for [(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol is O=S1(=O)CCN(C[C@@H]2CC[C@H](CO)O2)CC1.
What is the InChIKey of [(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol?
The InChIKey is HUJNSJUXNWYDHX-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19NO4S/c12-8-10-2-1-9(15-10)7-11-3-5-16(13,14)6-4-11/h9-10,12H,1-8H2/t9-,10+/m0/s1.
What are the key properties of [(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol?
[(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol has a molecular weight of 249.33 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol is sourced from PubChem (CID 178190737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).