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

C8H16N2S — CID 3047919

IUPAC2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine
SMILESCN1CC=C(SCCN)CC1
InChIInChI=1S/C8H16N2S/c1-10-5-2-8(3-6-10)11-7-4-9/h2H,3-7,9H2,1H3
InChIKeyMSBOOZSDLUKVDT-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.90
Rot. Bonds3

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

2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine (PubChem CID 3047919) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine
PubChem CID3047919
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine
SMILESCN1CC=C(SCCN)CC1
InChIInChI=1S/C8H16N2S/c1-10-5-2-8(3-6-10)11-7-4-9/h2H,3-7,9H2,1H3
InChIKeyMSBOOZSDLUKVDT-UHFFFAOYSA-N
XLogP0.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Pipecoline, 3,4-didehydro-4-(2-(aminoethyl)thio)-, hydrochloride
CID 3047918
5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19933889
1-(2-ethylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 60061033
4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine
CID 89197924
(Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine
CID 118617237
4-Methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 123530657
Ethane;5-methylsulfanyl-1,2,3,6-tetrahydropyridine;prop-1-ene
CID 144168368
ethane;(Z)-3-ethylsulfanyl-N-methyl-N-propylpent-3-en-1-amine
CID 145444632
2,4,6-triethyl-3,4-dihydro-2H-1,3-thiazine
CID 149700863
5-[1-(Methylamino)butylsulfanyl]pent-2-en-1-amine
CID 91375605
(E)-N-(3-ethylsulfanylpropyl)pent-3-en-1-amine
CID 104081153
(E)-N-(2-ethylsulfanylethyl)pent-3-en-1-amine
CID 104668614

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine?
The IUPAC name of 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine (CID 3047919) is 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine is CN1CC=C(SCCN)CC1.
What is the InChIKey of 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine?
The InChIKey is MSBOOZSDLUKVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-10-5-2-8(3-6-10)11-7-4-9/h2H,3-7,9H2,1H3.
What are the key properties of 2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine?
2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine has a molecular weight of 172.30 g/mol, XLogP of 0.90, 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 is sourced from PubChem (CID 3047919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).