N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine

C16H20N2S — CID 79319585

IUPACN-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine
SMILESCN(CCSc1ccccc1)CCc1ccccn1
InChIInChI=1S/C16H20N2S/c1-18(12-10-15-7-5-6-11-17-15)13-14-19-16-8-3-2-4-9-16/h2-9,11H,10,12-14H2,1H3
InChIKeyZCWWONWHRIQSSI-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.35
Rot. Bonds7

About N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine

N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine (PubChem CID 79319585) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine
PubChem CID79319585
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine
SMILESCN(CCSc1ccccc1)CCc1ccccn1
InChIInChI=1S/C16H20N2S/c1-18(12-10-15-7-5-6-11-17-15)13-14-19-16-8-3-2-4-9-16/h2-9,11H,10,12-14H2,1H3
InChIKeyZCWWONWHRIQSSI-UHFFFAOYSA-N
XLogP3.35
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 140747992
6-chloro-N-methyl-N-(2-pyridin-2-ylethyl)hexan-1-amine
CID 62229678
5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 61289139
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine
CID 78993096
(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine
CID 757307
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
CID 91709658
2-benzylsulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 71426765

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine?
The IUPAC name of N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine (CID 79319585) is N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine?
The canonical SMILES for N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine is CN(CCSc1ccccc1)CCc1ccccn1.
What is the InChIKey of N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine?
The InChIKey is ZCWWONWHRIQSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-18(12-10-15-7-5-6-11-17-15)13-14-19-16-8-3-2-4-9-16/h2-9,11H,10,12-14H2,1H3.
What are the key properties of N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine?
N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 79319585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).