1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine

C10H16N2S — CID 144789979

IUPAC1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine
SMILESC=C(C)SC(NC)C1=CNCC=C1
InChIInChI=1S/C10H16N2S/c1-8(2)13-10(11-3)9-5-4-6-12-7-9/h4-5,7,10-12H,1,6H2,2-3H3
InChIKeyFEBYIVXVJCQOBC-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.84
Rot. Bonds4

About 1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine

1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine (PubChem CID 144789979) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine
PubChem CID144789979
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine
SMILESC=C(C)SC(NC)C1=CNCC=C1
InChIInChI=1S/C10H16N2S/c1-8(2)13-10(11-3)9-5-4-6-12-7-9/h4-5,7,10-12H,1,6H2,2-3H3
InChIKeyFEBYIVXVJCQOBC-UHFFFAOYSA-N
XLogP1.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine?
The IUPAC name of 1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine (CID 144789979) is 1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine.
What is the SMILES notation for 1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine?
The canonical SMILES for 1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine is C=C(C)SC(NC)C1=CNCC=C1.
What is the InChIKey of 1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine?
The InChIKey is FEBYIVXVJCQOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8(2)13-10(11-3)9-5-4-6-12-7-9/h4-5,7,10-12H,1,6H2,2-3H3.
What are the key properties of 1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine?
1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine has a molecular weight of 196.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-5-yl)-N-methyl-1-prop-1-en-2-ylsulfanylmethanamine is sourced from PubChem (CID 144789979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).