(3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine

C9H13NOS — CID 170000965

IUPAC(3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine
SMILESCc1ccc([C@@H]2CCON2C)s1
InChIInChI=1S/C9H13NOS/c1-7-3-4-9(12-7)8-5-6-11-10(8)2/h3-4,8H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyNRYJPJQDWIZSFW-QMMMGPOBSA-N
MW183.28 g/mol
LogP2.36
Rot. Bonds1

About (3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine

(3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine (PubChem CID 170000965) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is (3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine
PubChem CID170000965
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name(3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine
SMILESCc1ccc([C@@H]2CCON2C)s1
InChIInChI=1S/C9H13NOS/c1-7-3-4-9(12-7)8-5-6-11-10(8)2/h3-4,8H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyNRYJPJQDWIZSFW-QMMMGPOBSA-N
XLogP2.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine?
The IUPAC name of (3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine (CID 170000965) is (3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine.
What is the SMILES notation for (3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine?
The canonical SMILES for (3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine is Cc1ccc([C@@H]2CCON2C)s1.
What is the InChIKey of (3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine?
The InChIKey is NRYJPJQDWIZSFW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NOS/c1-7-3-4-9(12-7)8-5-6-11-10(8)2/h3-4,8H,5-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine?
(3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine has a molecular weight of 183.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-3-(5-methylthiophen-2-yl)-1,2-oxazolidine is sourced from PubChem (CID 170000965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).