dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride

C14H20ClN3S — CID 13734

IUPACdimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride
SMILESC[NH+](C)CCN(Cc1ccsc1)c1ccccn1.[Cl-]
InChIInChI=1S/C14H19N3S.ClH/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14;/h3-7,10,12H,8-9,11H2,1-2H3;1H
InChIKeyOQWLDKFPOJCKBX-UHFFFAOYSA-N
MW297.86 g/mol
LogP-1.70
Rot. Bonds6

About dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride

dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride (PubChem CID 13734) has the molecular formula C14H20ClN3S and a molecular weight of 297.86 g/mol. Its IUPAC name is dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride
PubChem CID13734
Molecular FormulaC14H20ClN3S
Molecular Weight297.86 g/mol
Exact Mass297.11
IUPAC Namedimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride
SMILESC[NH+](C)CCN(Cc1ccsc1)c1ccccn1.[Cl-]
InChIInChI=1S/C14H19N3S.ClH/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14;/h3-7,10,12H,8-9,11H2,1-2H3;1H
InChIKeyOQWLDKFPOJCKBX-UHFFFAOYSA-N
XLogP-1.70
TPSA20.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.86
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4098
Thenyldiamine
CID 7066
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CID 8993
Methapyrilene Hydrochloride
CID 8667
4-(Piperazin-1-yl)thieno[3,2-c]pyridine
CID 10966027
Thenyldiamine Hydrochloride
CID 24180707
N-(2-Thienylmethyl)-4-pyridinemethanamine
CID 964916
2-(2-Thenylamino)pyridine
CID 67323
1-Pyridin-2-yl-4-(4-thiophen-2-yl-cyclohex-3-enyl)-piperazine
CID 15079634
1-Pyridin-2-yl-4-[2-(4-thiophen-2-yl-cyclohex-3-enyl)-ethyl]-piperazine
CID 15079637
N-(2-thienyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 2814320
4-Piperazine-1-yl-thieno[2,3-c]pyridine hydrochloride
CID 45259316

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride?
The IUPAC name of dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride (CID 13734) is dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride.
What is the SMILES notation for dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride?
The canonical SMILES for dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride is C[NH+](C)CCN(Cc1ccsc1)c1ccccn1.[Cl-].
What is the InChIKey of dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride?
The InChIKey is OQWLDKFPOJCKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S.ClH/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14;/h3-7,10,12H,8-9,11H2,1-2H3;1H.
What are the key properties of dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride?
dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride has a molecular weight of 297.86 g/mol, XLogP of -1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium chloride is sourced from PubChem (CID 13734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).