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

C15H21N3S — CID 56723026

IUPAC1-ethylsulfanyl-N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine
SMILESCCSCC(C)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C15H21N3S/c1-3-19-11-13(2)17-10-14-6-4-5-7-15(14)18-9-8-16-12-18/h4-9,12-13,17H,3,10-11H2,1-2H3
InChIKeyIMPKEZMHBWXSSW-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.10
Rot. Bonds7

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

1-ethylsulfanyl-N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine (PubChem CID 56723026) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-ethylsulfanyl-N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine
PubChem CID56723026
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-ethylsulfanyl-N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine
SMILESCCSCC(C)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C15H21N3S/c1-3-19-11-13(2)17-10-14-6-4-5-7-15(14)18-9-8-16-12-18/h4-9,12-13,17H,3,10-11H2,1-2H3
InChIKeyIMPKEZMHBWXSSW-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine?
The IUPAC name of 1-ethylsulfanyl-N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine (CID 56723026) is 1-ethylsulfanyl-N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine is CCSCC(C)NCc1ccccc1-n1ccnc1.
What is the InChIKey of 1-ethylsulfanyl-N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine?
The InChIKey is IMPKEZMHBWXSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-19-11-13(2)17-10-14-6-4-5-7-15(14)18-9-8-16-12-18/h4-9,12-13,17H,3,10-11H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine?
1-ethylsulfanyl-N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 56723026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).