3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one

C12H18N2O2S — CID 95158751

IUPAC3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](c1cccs1)N(C)CCN1CCOC1=O
InChIInChI=1S/C12H18N2O2S/c1-10(11-4-3-9-17-11)13(2)5-6-14-7-8-16-12(14)15/h3-4,9-10H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyWUFPTPZDNKCGQR-JTQLQIEISA-N
MW254.35 g/mol
LogP2.19
Rot. Bonds5

About 3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one

3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 95158751) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one
PubChem CID95158751
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](c1cccs1)N(C)CCN1CCOC1=O
InChIInChI=1S/C12H18N2O2S/c1-10(11-4-3-9-17-11)13(2)5-6-14-7-8-16-12(14)15/h3-4,9-10H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyWUFPTPZDNKCGQR-JTQLQIEISA-N
XLogP2.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one (CID 95158751) is 3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one is C[C@@H](c1cccs1)N(C)CCN1CCOC1=O.
What is the InChIKey of 3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is WUFPTPZDNKCGQR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10(11-4-3-9-17-11)13(2)5-6-14-7-8-16-12(14)15/h3-4,9-10H,5-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 254.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 95158751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).