(5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one

C14H16N2O3S — CID 123625224

IUPAC(5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one
SMILESCCC[C@H]1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1
InChIInChI=1S/C14H16N2O3S/c1-2-3-10-7-16(14(18)19-10)9-4-5-12-11(6-9)15-13(17)8-20-12/h4-6,10H,2-3,7-8H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyXFCIRTCBCZVZRC-JTQLQIEISA-N
MW292.36 g/mol
LogP2.86
Rot. Bonds3

About (5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one

(5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one (PubChem CID 123625224) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is (5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one
PubChem CID123625224
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name(5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one
SMILESCCC[C@H]1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1
InChIInChI=1S/C14H16N2O3S/c1-2-3-10-7-16(14(18)19-10)9-4-5-12-11(6-9)15-13(17)8-20-12/h4-6,10H,2-3,7-8H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyXFCIRTCBCZVZRC-JTQLQIEISA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-(3-aminopropyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66736987
(5R)-5-(chloromethyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67131156
5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67350336
[2-methyl-1-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl] acetate
CID 174607179
3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-[2-(2-quinolin-2-ylethylamino)ethyl]-1,3-oxazolidin-2-one
CID 67308495
(5S)-5-[3-(naphthalen-1-ylmethylamino)propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66737576
2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 86723059
3-[3-[(5S)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione
CID 71255271
5,8-dichloro-3-[3-[(5S)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione
CID 71607890
(5R)-5-[3-[(4-hydroxynaphthalen-1-yl)methylamino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66737478
(5S)-5-[3-[(4-hydroxynaphthalen-1-yl)methylamino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66737023
2-amino-5-methoxy-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 86723069

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one (CID 123625224) is (5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one is CCC[C@H]1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1.
What is the InChIKey of (5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one?
The InChIKey is XFCIRTCBCZVZRC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-3-10-7-16(14(18)19-10)9-4-5-12-11(6-9)15-13(17)8-20-12/h4-6,10H,2-3,7-8H2,1H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one?
(5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one has a molecular weight of 292.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123625224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).