4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride

C9H12ClNS — CID 19095538

IUPAC4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESC1=C(c2cccs2)CCNC1.Cl
InChIInChI=1S/C9H11NS.ClH/c1-2-9(11-7-1)8-3-5-10-6-4-8;/h1-3,7,10H,4-6H2;1H
InChIKeyCZWCOGJGHJXXRN-UHFFFAOYSA-N
MW201.72 g/mol
LogP2.55
Rot. Bonds1

About 4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride

4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 19095538) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is 4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID19095538
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESC1=C(c2cccs2)CCNC1.Cl
InChIInChI=1S/C9H11NS.ClH/c1-2-9(11-7-1)8-3-5-10-6-4-8;/h1-3,7,10H,4-6H2;1H
InChIKeyCZWCOGJGHJXXRN-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methiopropamine
CID 436156
Tifacogin
CID 961320
Methiopropamine (N-methyl-1-(thiophen-2-yl)propan-2-amine)
CID 458582
1-(2-Thienylmethyl)piperazine, monohydrochloride
CID 2760623
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
2-(Thiophen-2-yl)pyrrolidine
CID 339554
3-(Thiophen-2-yl)propan-1-amine
CID 40835
N'-[3-(thiophen-2-ylmethylamino)propyl]octane-1,8-diamine
CID 76324403
N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine;hydrochloride
CID 118733555

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride (CID 19095538) is 4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride is C1=C(c2cccs2)CCNC1.Cl.
What is the InChIKey of 4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is CZWCOGJGHJXXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS.ClH/c1-2-9(11-7-1)8-3-5-10-6-4-8;/h1-3,7,10H,4-6H2;1H.
What are the key properties of 4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride?
4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 201.72 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 19095538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).