3-thiophen-3-ylpiperidine

C9H13NS — CID 45073823

IUPAC3-thiophen-3-ylpiperidine
SMILESc1cc(C2CCCNC2)cs1
InChIInChI=1S/C9H13NS/c1-2-8(6-10-4-1)9-3-5-11-7-9/h3,5,7-8,10H,1-2,4,6H2
InChIKeyUREQZWMDVYHYBE-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.22
Rot. Bonds1

About 3-thiophen-3-ylpiperidine

3-thiophen-3-ylpiperidine (PubChem CID 45073823) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 3-thiophen-3-ylpiperidine.

Molecular Properties

Compound Name3-thiophen-3-ylpiperidine
PubChem CID45073823
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name3-thiophen-3-ylpiperidine
SMILESc1cc(C2CCCNC2)cs1
InChIInChI=1S/C9H13NS/c1-2-8(6-10-4-1)9-3-5-11-7-9/h3,5,7-8,10H,1-2,4,6H2
InChIKeyUREQZWMDVYHYBE-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Thiophen-3-yl-1-aza-bicyclo[2.2.2]oct-2-ene
CID 11819883
(1S,5R)-1-(3-Thienyl)-3-azabicyclo[3.1.0]hexane
CID 44561253
4-(2-Thienyl)piperidine
CID 19095574
4-(3-Thienyl)piperidine
CID 19847314
Methyl[1-(thiophen-3-yl)propan-2-yl]amine
CID 61077840
Ethanethiol, 2-((4-(3-thienyl)butyl)amino)-, hydrogen sulfate (ester)
CID 217518
Methyl[1-(thiophen-3-yl)propan-2-yl]amine hydrochloride
CID 73994837
2-(Thiophen-3-yl)pyrrolidine
CID 3988672
2-(Thiophen-3-yl)piperazine
CID 16740794
4-(Thiophen-3-yl)piperidine hydrochloride
CID 45073797
2-(Thiophen-3-yl)propan-1-amine
CID 54559053
2-(Thiophen-3-yl)propan-1-amine hydrochloride
CID 67850872

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylpiperidine?
The IUPAC name of 3-thiophen-3-ylpiperidine (CID 45073823) is 3-thiophen-3-ylpiperidine.
What is the SMILES notation for 3-thiophen-3-ylpiperidine?
The canonical SMILES for 3-thiophen-3-ylpiperidine is c1cc(C2CCCNC2)cs1.
What is the InChIKey of 3-thiophen-3-ylpiperidine?
The InChIKey is UREQZWMDVYHYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-2-8(6-10-4-1)9-3-5-11-7-9/h3,5,7-8,10H,1-2,4,6H2.
What are the key properties of 3-thiophen-3-ylpiperidine?
3-thiophen-3-ylpiperidine has a molecular weight of 167.28 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylpiperidine is sourced from PubChem (CID 45073823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).