(4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one

C9H11NO2S — CID 130665628

IUPAC(4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one
SMILESCc1ccsc1[C@H]1CCOC(=O)N1
InChIInChI=1S/C9H11NO2S/c1-6-3-5-13-8(6)7-2-4-12-9(11)10-7/h3,5,7H,2,4H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyQBTMJQXXSWVFMF-SSDOTTSWSA-N
MW197.26 g/mol
LogP2.23
Rot. Bonds1

About (4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one

(4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one (PubChem CID 130665628) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is (4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one
PubChem CID130665628
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name(4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one
SMILESCc1ccsc1[C@H]1CCOC(=O)N1
InChIInChI=1S/C9H11NO2S/c1-6-3-5-13-8(6)7-2-4-12-9(11)10-7/h3,5,7H,2,4H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyQBTMJQXXSWVFMF-SSDOTTSWSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one (CID 130665628) is (4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one is Cc1ccsc1[C@H]1CCOC(=O)N1.
What is the InChIKey of (4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one?
The InChIKey is QBTMJQXXSWVFMF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-6-3-5-13-8(6)7-2-4-12-9(11)10-7/h3,5,7H,2,4H2,1H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one?
(4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one has a molecular weight of 197.26 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one is sourced from PubChem (CID 130665628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).