1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine

C16H23N3S — CID 115725692

IUPAC1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine
SMILESCCSCC(C)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H23N3S/c1-4-20-11-13(2)18-14(3)15-5-7-16(8-6-15)19-10-9-17-12-19/h5-10,12-14,18H,4,11H2,1-3H3
InChIKeyLGSXIICSQRAFHI-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.66
Rot. Bonds7

About 1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine

1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine (PubChem CID 115725692) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine
PubChem CID115725692
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine
SMILESCCSCC(C)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H23N3S/c1-4-20-11-13(2)18-14(3)15-5-7-16(8-6-15)19-10-9-17-12-19/h5-10,12-14,18H,4,11H2,1-3H3
InChIKeyLGSXIICSQRAFHI-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]pent-4-yn-2-amine
CID 115725305
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine
CID 64603200
1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride
CID 91654248
1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905169
N-[1-(4-chlorophenyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115725719
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107459
3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785496
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine
CID 113247045
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine (CID 115725692) is 1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine is CCSCC(C)NC(C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine?
The InChIKey is LGSXIICSQRAFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-20-11-13(2)18-14(3)15-5-7-16(8-6-15)19-10-9-17-12-19/h5-10,12-14,18H,4,11H2,1-3H3.
What are the key properties of 1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine?
1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 115725692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).