(2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone

C13H17NO3S — CID 98864695

IUPAC(2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone
SMILESCO[C@@H](C(=O)N1CCS(=O)CC1)c1ccccc1
InChIInChI=1S/C13H17NO3S/c1-17-12(11-5-3-2-4-6-11)13(15)14-7-9-18(16)10-8-14/h2-6,12H,7-10H2,1H3/t12-/m1/s1
InChIKeyVZHXNPRLFNPJQI-GFCCVEGCSA-N
MW267.35 g/mol
LogP0.96
Rot. Bonds3

About (2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone

(2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone (PubChem CID 98864695) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone
PubChem CID98864695
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone
SMILESCO[C@@H](C(=O)N1CCS(=O)CC1)c1ccccc1
InChIInChI=1S/C13H17NO3S/c1-17-12(11-5-3-2-4-6-11)13(15)14-7-9-18(16)10-8-14/h2-6,12H,7-10H2,1H3/t12-/m1/s1
InChIKeyVZHXNPRLFNPJQI-GFCCVEGCSA-N
XLogP0.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone?
The IUPAC name of (2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone (CID 98864695) is (2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone?
The canonical SMILES for (2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone is CO[C@@H](C(=O)N1CCS(=O)CC1)c1ccccc1.
What is the InChIKey of (2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone?
The InChIKey is VZHXNPRLFNPJQI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-17-12(11-5-3-2-4-6-11)13(15)14-7-9-18(16)10-8-14/h2-6,12H,7-10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone?
(2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone has a molecular weight of 267.35 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone is sourced from PubChem (CID 98864695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).