N-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine

C7H14N2S — CID 89402508

IUPACN-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine
SMILESCNC1=C(SC)CNCC1
InChIInChI=1S/C7H14N2S/c1-8-6-3-4-9-5-7(6)10-2/h8-9H,3-5H2,1-2H3
InChIKeyIHASILJWILUJCO-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.77
Rot. Bonds2

About N-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine

N-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine (PubChem CID 89402508) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is N-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine.

Molecular Properties

Compound NameN-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine
PubChem CID89402508
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC NameN-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine
SMILESCNC1=C(SC)CNCC1
InChIInChI=1S/C7H14N2S/c1-8-6-3-4-9-5-7(6)10-2/h8-9H,3-5H2,1-2H3
InChIKeyIHASILJWILUJCO-UHFFFAOYSA-N
XLogP0.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine?
The IUPAC name of N-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine (CID 89402508) is N-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine.
What is the SMILES notation for N-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine?
The canonical SMILES for N-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine is CNC1=C(SC)CNCC1.
What is the InChIKey of N-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine?
The InChIKey is IHASILJWILUJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-8-6-3-4-9-5-7(6)10-2/h8-9H,3-5H2,1-2H3.
What are the key properties of N-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine?
N-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine has a molecular weight of 158.27 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine is sourced from PubChem (CID 89402508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).