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

C12H11ClN2O2S — CID 141389274

IUPAC(5S)-5-(aminomethyl)-3-(3-chloro-1-benzothiophen-2-yl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2sc3ccccc3c2Cl)C(=O)O1
InChIInChI=1S/C12H11ClN2O2S/c13-10-8-3-1-2-4-9(8)18-11(10)15-6-7(5-14)17-12(15)16/h1-4,7H,5-6,14H2/t7-/m0/s1
InChIKeyOLYRGDCHEAHMDJ-ZETCQYMHSA-N
MW282.75 g/mol
LogP2.84
Rot. Bonds2

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

(5S)-5-(aminomethyl)-3-(3-chloro-1-benzothiophen-2-yl)-1,3-oxazolidin-2-one (PubChem CID 141389274) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(3-chloro-1-benzothiophen-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-(3-chloro-1-benzothiophen-2-yl)-1,3-oxazolidin-2-one
PubChem CID141389274
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name(5S)-5-(aminomethyl)-3-(3-chloro-1-benzothiophen-2-yl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2sc3ccccc3c2Cl)C(=O)O1
InChIInChI=1S/C12H11ClN2O2S/c13-10-8-3-1-2-4-9(8)18-11(10)15-6-7(5-14)17-12(15)16/h1-4,7H,5-6,14H2/t7-/m0/s1
InChIKeyOLYRGDCHEAHMDJ-ZETCQYMHSA-N
XLogP2.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
(5S)-5-(aminomethyl)-3-(5-methylthiophen-2-yl)-1,3-oxazolidin-2-one
CID 115056763
(5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 142669210
5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 82023144
5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one
CID 116838093
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
(5S)-5-(aminomethyl)-3-(3-chloro-4-isocyanophenyl)-1,3-oxazolidin-2-one
CID 59411206
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
(5S)-5-(aminomethyl)-3-(9H-fluoren-2-yl)-1,3-oxazolidin-2-one
CID 15858850
(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-(3-chloro-1-benzothiophen-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-(3-chloro-1-benzothiophen-2-yl)-1,3-oxazolidin-2-one (CID 141389274) is (5S)-5-(aminomethyl)-3-(3-chloro-1-benzothiophen-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-(3-chloro-1-benzothiophen-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-(3-chloro-1-benzothiophen-2-yl)-1,3-oxazolidin-2-one is NC[C@H]1CN(c2sc3ccccc3c2Cl)C(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-(3-chloro-1-benzothiophen-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is OLYRGDCHEAHMDJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-10-8-3-1-2-4-9(8)18-11(10)15-6-7(5-14)17-12(15)16/h1-4,7H,5-6,14H2/t7-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-(3-chloro-1-benzothiophen-2-yl)-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-(3-chloro-1-benzothiophen-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 282.75 g/mol, XLogP of 2.84, 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-(3-chloro-1-benzothiophen-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 141389274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).