N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine

C16H22N2S — CID 79227337

IUPACN-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine
SMILESCCNC(C)c1cccn1CCSc1ccccc1
InChIInChI=1S/C16H22N2S/c1-3-17-14(2)16-10-7-11-18(16)12-13-19-15-8-5-4-6-9-15/h4-11,14,17H,3,12-13H2,1-2H3
InChIKeyPVZDFUPJZLFTLF-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.95
Rot. Bonds7

About N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine

N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine (PubChem CID 79227337) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine
PubChem CID79227337
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine
SMILESCCNC(C)c1cccn1CCSc1ccccc1
InChIInChI=1S/C16H22N2S/c1-3-17-14(2)16-10-7-11-18(16)12-13-19-15-8-5-4-6-9-15/h4-11,14,17H,3,12-13H2,1-2H3
InChIKeyPVZDFUPJZLFTLF-UHFFFAOYSA-N
XLogP3.95
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine
CID 79102162
4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol
CID 79101966
N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine
CID 79108535
N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrazol-4-yl]ethanamine
CID 79229111
N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 79102960
N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine
CID 82928164
N-ethyl-1-[3-(2-phenylsulfanylethylsulfanyl)phenyl]ethanamine
CID 79205935
N-[1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 116617073
1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine
CID 79102060
N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79102768
2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 79102465
N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 79228825

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine (CID 79227337) is N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine is CCNC(C)c1cccn1CCSc1ccccc1.
What is the InChIKey of N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine?
The InChIKey is PVZDFUPJZLFTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-3-17-14(2)16-10-7-11-18(16)12-13-19-15-8-5-4-6-9-15/h4-11,14,17H,3,12-13H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine?
N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine has a molecular weight of 274.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79227337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).