2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine

C8H14N2S — CID 118933271

IUPAC2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine
SMILESCCSC1NC=CC=C1NC
InChIInChI=1S/C8H14N2S/c1-3-11-8-7(9-2)5-4-6-10-8/h4-6,8-10H,3H2,1-2H3
InChIKeyINXXCBPMLHTIKW-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.29
Rot. Bonds3

About 2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine

2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine (PubChem CID 118933271) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine
PubChem CID118933271
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine
SMILESCCSC1NC=CC=C1NC
InChIInChI=1S/C8H14N2S/c1-3-11-8-7(9-2)5-4-6-10-8/h4-6,8-10H,3H2,1-2H3
InChIKeyINXXCBPMLHTIKW-UHFFFAOYSA-N
XLogP1.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine?
The IUPAC name of 2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine (CID 118933271) is 2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine.
What is the SMILES notation for 2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine?
The canonical SMILES for 2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine is CCSC1NC=CC=C1NC.
What is the InChIKey of 2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine?
The InChIKey is INXXCBPMLHTIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-11-8-7(9-2)5-4-6-10-8/h4-6,8-10H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine?
2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine has a molecular weight of 170.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-methyl-1,2-dihydropyridin-3-amine is sourced from PubChem (CID 118933271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).