(5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one

C9H12N2O2S — CID 115056763

IUPAC(5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one
SMILESCc1ccc(N2C[C@H](CN)OC2=O)s1
InChIInChI=1S/C9H12N2O2S/c1-6-2-3-8(14-6)11-5-7(4-10)13-9(11)12/h2-3,7H,4-5,10H2,1H3/t7-/m0/s1
InChIKeyDGFLLFAWVYWHJY-ZETCQYMHSA-N
MW212.27 g/mol
LogP1.34
Rot. Bonds2

About (5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one (PubChem CID 115056763) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one
PubChem CID115056763
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name(5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one
SMILESCc1ccc(N2C[C@H](CN)OC2=O)s1
InChIInChI=1S/C9H12N2O2S/c1-6-2-3-8(14-6)11-5-7(4-10)13-9(11)12/h2-3,7H,4-5,10H2,1H3/t7-/m0/s1
InChIKeyDGFLLFAWVYWHJY-ZETCQYMHSA-N
XLogP1.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 82023144
5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
CID 14011249
5-(aminomethyl)-3-(4,5-dimethoxy-2-methylphenyl)-1,3-oxazolidin-2-one
CID 116838104
5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride
CID 68916606
5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one
CID 116838093
(5S)-5-(aminomethyl)-3-(3-chloro-1-benzothiophen-2-yl)-1,3-oxazolidin-2-one
CID 141389274
5-(aminomethyl)-3-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazolidin-2-one
CID 116838111
5-(aminomethyl)-3-(2-methoxy-3,5-dimethylphenyl)-1,3-oxazolidin-2-one
CID 116838095
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one (CID 115056763) is (5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one is Cc1ccc(N2C[C@H](CN)OC2=O)s1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is DGFLLFAWVYWHJY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-6-2-3-8(14-6)11-5-7(4-10)13-9(11)12/h2-3,7H,4-5,10H2,1H3/t7-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 212.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115056763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).