2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol

C12H18ClNO3S — CID 95971091

IUPAC2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol
SMILESOCCOCCN1CCO[C@H](c2ccc(Cl)s2)C1
InChIInChI=1S/C12H18ClNO3S/c13-12-2-1-11(18-12)10-9-14(4-7-17-10)3-6-16-8-5-15/h1-2,10,15H,3-9H2/t10-/m0/s1
InChIKeyPPRXQMWFPYCZPF-JTQLQIEISA-N
MW291.80 g/mol
LogP1.78
Rot. Bonds6

About 2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol

2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol (PubChem CID 95971091) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol
PubChem CID95971091
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC Name2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol
SMILESOCCOCCN1CCO[C@H](c2ccc(Cl)s2)C1
InChIInChI=1S/C12H18ClNO3S/c13-12-2-1-11(18-12)10-9-14(4-7-17-10)3-6-16-8-5-15/h1-2,10,15H,3-9H2/t10-/m0/s1
InChIKeyPPRXQMWFPYCZPF-JTQLQIEISA-N
XLogP1.78
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol (CID 95971091) is 2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol is OCCOCCN1CCO[C@H](c2ccc(Cl)s2)C1.
What is the InChIKey of 2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol?
The InChIKey is PPRXQMWFPYCZPF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18ClNO3S/c13-12-2-1-11(18-12)10-9-14(4-7-17-10)3-6-16-8-5-15/h1-2,10,15H,3-9H2/t10-/m0/s1.
What are the key properties of 2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol?
2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol has a molecular weight of 291.80 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol is sourced from PubChem (CID 95971091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).