N-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine

C15H23N3S — CID 56714571

IUPACN-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine
SMILESCCSCC(C)NCc1nn(C)c2ccc(C)cc12
InChIInChI=1S/C15H23N3S/c1-5-19-10-12(3)16-9-14-13-8-11(2)6-7-15(13)18(4)17-14/h6-8,12,16H,5,9-10H2,1-4H3
InChIKeyJRIPTHPGDVJVOR-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.11
Rot. Bonds6

About N-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine

N-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine (PubChem CID 56714571) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine
PubChem CID56714571
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine
SMILESCCSCC(C)NCc1nn(C)c2ccc(C)cc12
InChIInChI=1S/C15H23N3S/c1-5-19-10-12(3)16-9-14-13-8-11(2)6-7-15(13)18(4)17-14/h6-8,12,16H,5,9-10H2,1-4H3
InChIKeyJRIPTHPGDVJVOR-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 194036
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CID 9859364
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CID 23000156
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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine?
The IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine (CID 56714571) is N-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine.
What is the SMILES notation for N-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine?
The canonical SMILES for N-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine is CCSCC(C)NCc1nn(C)c2ccc(C)cc12.
What is the InChIKey of N-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine?
The InChIKey is JRIPTHPGDVJVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-5-19-10-12(3)16-9-14-13-8-11(2)6-7-15(13)18(4)17-14/h6-8,12,16H,5,9-10H2,1-4H3.
What are the key properties of N-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine?
N-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine has a molecular weight of 277.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylindazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine is sourced from PubChem (CID 56714571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).