3-(2-thiophen-3-ylethyl)azepane

C12H19NS — CID 104680659

IUPAC3-(2-thiophen-3-ylethyl)azepane
SMILESc1cc(CCC2CCCCNC2)cs1
InChIInChI=1S/C12H19NS/c1-2-7-13-9-11(3-1)4-5-12-6-8-14-10-12/h6,8,10-11,13H,1-5,7,9H2
InChIKeyFXVAPADZIRAFHK-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.07
Rot. Bonds3

About 3-(2-thiophen-3-ylethyl)azepane

3-(2-thiophen-3-ylethyl)azepane (PubChem CID 104680659) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 3-(2-thiophen-3-ylethyl)azepane.

Molecular Properties

Compound Name3-(2-thiophen-3-ylethyl)azepane
PubChem CID104680659
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name3-(2-thiophen-3-ylethyl)azepane
SMILESc1cc(CCC2CCCCNC2)cs1
InChIInChI=1S/C12H19NS/c1-2-7-13-9-11(3-1)4-5-12-6-8-14-10-12/h6,8,10-11,13H,1-5,7,9H2
InChIKeyFXVAPADZIRAFHK-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-piperidin-3-ylethyl)-3-thiophen-3-ylpropanamide;hydrochloride
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1-piperidin-3-yl-N-(2-thiophen-3-ylethyl)methanesulfonamide
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CID 126844820
4-(2-piperidin-3-ylethyl)benzenethiol
CID 142937615
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CID 55173705
3-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64504109
(3S)-3-(thiophen-3-ylmethoxy)piperidine
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Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-3-ylethyl)azepane?
The IUPAC name of 3-(2-thiophen-3-ylethyl)azepane (CID 104680659) is 3-(2-thiophen-3-ylethyl)azepane.
What is the SMILES notation for 3-(2-thiophen-3-ylethyl)azepane?
The canonical SMILES for 3-(2-thiophen-3-ylethyl)azepane is c1cc(CCC2CCCCNC2)cs1.
What is the InChIKey of 3-(2-thiophen-3-ylethyl)azepane?
The InChIKey is FXVAPADZIRAFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-2-7-13-9-11(3-1)4-5-12-6-8-14-10-12/h6,8,10-11,13H,1-5,7,9H2.
What are the key properties of 3-(2-thiophen-3-ylethyl)azepane?
3-(2-thiophen-3-ylethyl)azepane has a molecular weight of 209.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-3-ylethyl)azepane is sourced from PubChem (CID 104680659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).