(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol

C7H15NO3S — CID 7086151

IUPAC(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESC[C@H](CO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO3S/c1-7(6-9)8-2-4-12(10,11)5-3-8/h7,9H,2-6H2,1H3/t7-/m1/s1
InChIKeyJJRJYKVLWRAZIG-SSDOTTSWSA-N
MW193.27 g/mol
LogP-0.90
Rot. Bonds2

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

(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol (PubChem CID 7086151) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
PubChem CID7086151
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESC[C@H](CO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO3S/c1-7(6-9)8-2-4-12(10,11)5-3-8/h7,9H,2-6H2,1H3/t7-/m1/s1
InChIKeyJJRJYKVLWRAZIG-SSDOTTSWSA-N
XLogP-0.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The IUPAC name of (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol (CID 7086151) is (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol.
What is the SMILES notation for (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The canonical SMILES for (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol is C[C@H](CO)N1CCS(=O)(=O)CC1.
What is the InChIKey of (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The InChIKey is JJRJYKVLWRAZIG-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-7(6-9)8-2-4-12(10,11)5-3-8/h7,9H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol has a molecular weight of 193.27 g/mol, XLogP of -0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol is sourced from PubChem (CID 7086151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).