1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride

C14H18ClNO2S — CID 23869

IUPAC1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride
SMILESOC(C[NH+]1CCOCC1)c1csc2ccccc12.[Cl-]
InChIInChI=1S/C14H17NO2S.ClH/c16-13(9-15-5-7-17-8-6-15)12-10-18-14-4-2-1-3-11(12)14;/h1-4,10,13,16H,5-9H2;1H
InChIKeySKZHSRQBESRMRN-UHFFFAOYSA-N
MW299.82 g/mol
LogP-2.15
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride

1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride (PubChem CID 23869) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride
PubChem CID23869
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride
SMILESOC(C[NH+]1CCOCC1)c1csc2ccccc12.[Cl-]
InChIInChI=1S/C14H17NO2S.ClH/c16-13(9-15-5-7-17-8-6-15)12-10-18-14-4-2-1-3-11(12)14;/h1-4,10,13,16H,5-9H2;1H
InChIKeySKZHSRQBESRMRN-UHFFFAOYSA-N
XLogP-2.15
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 5-2.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride (CID 23869) is 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride is OC(C[NH+]1CCOCC1)c1csc2ccccc12.[Cl-].
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride?
The InChIKey is SKZHSRQBESRMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S.ClH/c16-13(9-15-5-7-17-8-6-15)12-10-18-14-4-2-1-3-11(12)14;/h1-4,10,13,16H,5-9H2;1H.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride?
1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride has a molecular weight of 299.82 g/mol, XLogP of -2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-morpholin-4-ium-4-ylethanol chloride is sourced from PubChem (CID 23869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).