2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride

C8H17ClN2S — CID 3047918

IUPAC2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride
SMILESCN1CC=C(SCCN)CC1.Cl
InChIInChI=1S/C8H16N2S.ClH/c1-10-5-2-8(3-6-10)11-7-4-9;/h2H,3-7,9H2,1H3;1H
InChIKeyZFBIIOSWGIPPEW-UHFFFAOYSA-N
MW208.76 g/mol
LogP1.32
Rot. Bonds3

About 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride

2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride (PubChem CID 3047918) has the molecular formula C8H17ClN2S and a molecular weight of 208.76 g/mol. Its IUPAC name is 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride
PubChem CID3047918
Molecular FormulaC8H17ClN2S
Molecular Weight208.76 g/mol
Exact Mass208.08
IUPAC Name2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride
SMILESCN1CC=C(SCCN)CC1.Cl
InChIInChI=1S/C8H16N2S.ClH/c1-10-5-2-8(3-6-10)11-7-4-9;/h2H,3-7,9H2,1H3;1H
InChIKeyZFBIIOSWGIPPEW-UHFFFAOYSA-N
XLogP1.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.76
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride?
The IUPAC name of 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride (CID 3047918) is 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride is CN1CC=C(SCCN)CC1.Cl.
What is the InChIKey of 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride?
The InChIKey is ZFBIIOSWGIPPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S.ClH/c1-10-5-2-8(3-6-10)11-7-4-9;/h2H,3-7,9H2,1H3;1H.
What are the key properties of 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride?
2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride has a molecular weight of 208.76 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine;hydrochloride is sourced from PubChem (CID 3047918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).