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

C10H19NO4S — CID 165455059

IUPAC[(2S,5R)-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+/m1/s1
InChIKeyHUJNSJUXNWYDHX-ZJUUUORDSA-N
MW249.33 g/mol
LogP-0.74
Rot. Bonds3

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

[(2S,5R)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol (PubChem CID 165455059) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is [(2S,5R)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol
PubChem CID165455059
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name[(2S,5R)-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+/m1/s1
InChIKeyHUJNSJUXNWYDHX-ZJUUUORDSA-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

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol (CID 165455059) is [(2S,5R)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-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 [(2S,5R)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol?
The InChIKey is HUJNSJUXNWYDHX-ZJUUUORDSA-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+/m1/s1.
What are the key properties of [(2S,5R)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol?
[(2S,5R)-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 [(2S,5R)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol is sourced from PubChem (CID 165455059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).