1-benzothiophen-2-ylmethyl(ethyl)azanium

C11H14NS+ — CID 7175906

IUPAC1-benzothiophen-2-ylmethyl(ethyl)azanium
SMILESCC[NH2+]Cc1cc2ccccc2s1
InChIInChI=1S/C11H13NS/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10/h3-7,12H,2,8H2,1H3/p+1
InChIKeyQCAMOJBUCDIESQ-UHFFFAOYSA-O
MW192.31 g/mol
LogP1.98
Rot. Bonds3

About 1-benzothiophen-2-ylmethyl(ethyl)azanium

1-benzothiophen-2-ylmethyl(ethyl)azanium (PubChem CID 7175906) has the molecular formula C11H14NS+ and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-benzothiophen-2-ylmethyl(ethyl)azanium.

Molecular Properties

Compound Name1-benzothiophen-2-ylmethyl(ethyl)azanium
PubChem CID7175906
Molecular FormulaC11H14NS+
Molecular Weight192.31 g/mol
Exact Mass192.08
IUPAC Name1-benzothiophen-2-ylmethyl(ethyl)azanium
SMILESCC[NH2+]Cc1cc2ccccc2s1
InChIInChI=1S/C11H13NS/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10/h3-7,12H,2,8H2,1H3/p+1
InChIKeyQCAMOJBUCDIESQ-UHFFFAOYSA-O
XLogP1.98
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-ylmethyl(ethyl)azanium?
The IUPAC name of 1-benzothiophen-2-ylmethyl(ethyl)azanium (CID 7175906) is 1-benzothiophen-2-ylmethyl(ethyl)azanium.
What is the SMILES notation for 1-benzothiophen-2-ylmethyl(ethyl)azanium?
The canonical SMILES for 1-benzothiophen-2-ylmethyl(ethyl)azanium is CC[NH2+]Cc1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-ylmethyl(ethyl)azanium?
The InChIKey is QCAMOJBUCDIESQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13NS/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10/h3-7,12H,2,8H2,1H3/p+1.
What are the key properties of 1-benzothiophen-2-ylmethyl(ethyl)azanium?
1-benzothiophen-2-ylmethyl(ethyl)azanium has a molecular weight of 192.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-ylmethyl(ethyl)azanium is sourced from PubChem (CID 7175906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).