1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol

C7H14N2S — CID 88880385

IUPAC1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol
SMILESCNC1=C(S)CN(C)CC1
InChIInChI=1S/C7H14N2S/c1-8-6-3-4-9(2)5-7(6)10/h8,10H,3-5H2,1-2H3
InChIKeyJUMYAANXBUITNZ-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.68
Rot. Bonds1

About 1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol

1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol (PubChem CID 88880385) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol.

Molecular Properties

Compound Name1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol
PubChem CID88880385
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol
SMILESCNC1=C(S)CN(C)CC1
InChIInChI=1S/C7H14N2S/c1-8-6-3-4-9(2)5-7(6)10/h8,10H,3-5H2,1-2H3
InChIKeyJUMYAANXBUITNZ-UHFFFAOYSA-N
XLogP0.68
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol?
The IUPAC name of 1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol (CID 88880385) is 1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol.
What is the SMILES notation for 1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol?
The canonical SMILES for 1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol is CNC1=C(S)CN(C)CC1.
What is the InChIKey of 1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol?
The InChIKey is JUMYAANXBUITNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-8-6-3-4-9(2)5-7(6)10/h8,10H,3-5H2,1-2H3.
What are the key properties of 1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol?
1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol has a molecular weight of 158.27 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-thiol is sourced from PubChem (CID 88880385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).