N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine

C12H20N2S — CID 104736340

IUPACN-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(CSCC)Cc1cccnc1
InChIInChI=1S/C12H20N2S/c1-3-14-12(10-15-4-2)8-11-6-5-7-13-9-11/h5-7,9,12,14H,3-4,8,10H2,1-2H3
InChIKeyWOEJKSAEKJHCIO-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.36
Rot. Bonds7

About N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine

N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 104736340) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine
PubChem CID104736340
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(CSCC)Cc1cccnc1
InChIInChI=1S/C12H20N2S/c1-3-14-12(10-15-4-2)8-11-6-5-7-13-9-11/h5-7,9,12,14H,3-4,8,10H2,1-2H3
InChIKeyWOEJKSAEKJHCIO-UHFFFAOYSA-N
XLogP2.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736344
N-ethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 62551025
1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736457
1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551023
N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine
CID 62602849
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 107308542
N-ethyl-1-(1-methylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-amine
CID 82876645
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 79708649
1-(2-chloro-4-methylphenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 106867485

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine (CID 104736340) is N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine is CCNC(CSCC)Cc1cccnc1.
What is the InChIKey of N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is WOEJKSAEKJHCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-14-12(10-15-4-2)8-11-6-5-7-13-9-11/h5-7,9,12,14H,3-4,8,10H2,1-2H3.
What are the key properties of N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine?
N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 224.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 104736340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).