N,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine

C10H16N2S — CID 3025106

IUPACN,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine
SMILESCN(C)CCSCc1cccnc1
InChIInChI=1S/C10H16N2S/c1-12(2)6-7-13-9-10-4-3-5-11-8-10/h3-5,8H,6-7,9H2,1-2H3
InChIKeyFZUOJBOMXDVLDA-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.88
Rot. Bonds5

About N,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine

N,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine (PubChem CID 3025106) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine
PubChem CID3025106
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine
SMILESCN(C)CCSCc1cccnc1
InChIInChI=1S/C10H16N2S/c1-12(2)6-7-13-9-10-4-3-5-11-8-10/h3-5,8H,6-7,9H2,1-2H3
InChIKeyFZUOJBOMXDVLDA-UHFFFAOYSA-N
XLogP1.88
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine (CID 3025106) is N,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine is CN(C)CCSCc1cccnc1.
What is the InChIKey of N,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine?
The InChIKey is FZUOJBOMXDVLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-12(2)6-7-13-9-10-4-3-5-11-8-10/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine?
N,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine has a molecular weight of 196.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(pyridin-3-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 3025106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).