N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine

C10H16N2S — CID 116831660

IUPACN-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine
SMILESCNC(CCSC)c1ccccn1
InChIInChI=1S/C10H16N2S/c1-11-9(6-8-13-2)10-5-3-4-7-12-10/h3-5,7,9,11H,6,8H2,1-2H3
InChIKeyUBOWDGCDDHPNDB-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.10
Rot. Bonds5

About N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine

N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine (PubChem CID 116831660) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine
PubChem CID116831660
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine
SMILESCNC(CCSC)c1ccccn1
InChIInChI=1S/C10H16N2S/c1-11-9(6-8-13-2)10-5-3-4-7-12-10/h3-5,7,9,11H,6,8H2,1-2H3
InChIKeyUBOWDGCDDHPNDB-UHFFFAOYSA-N
XLogP2.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine?
The IUPAC name of N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine (CID 116831660) is N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine is CNC(CCSC)c1ccccn1.
What is the InChIKey of N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine?
The InChIKey is UBOWDGCDDHPNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-11-9(6-8-13-2)10-5-3-4-7-12-10/h3-5,7,9,11H,6,8H2,1-2H3.
What are the key properties of N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine?
N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine has a molecular weight of 196.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 116831660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).