N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine

C13H19N3S — CID 115639747

IUPACN-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NCc1nn(C)c2ccccc12
InChIInChI=1S/C13H19N3S/c1-10(9-17-3)14-8-12-11-6-4-5-7-13(11)16(2)15-12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyXRGRVRXNLPEOAX-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.41
Rot. Bonds5

About N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine

N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine (PubChem CID 115639747) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
PubChem CID115639747
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NCc1nn(C)c2ccccc12
InChIInChI=1S/C13H19N3S/c1-10(9-17-3)14-8-12-11-6-4-5-7-13(11)16(2)15-12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyXRGRVRXNLPEOAX-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylindazol-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 63001915
1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine
CID 63000923
(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
CID 83195291
N-[(1-methylindazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 63000817
4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol
CID 103701006
(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349025
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612
(1R)-1-(4-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81348302
(1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81378061
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102905509
N-[(1-methylindazol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 113239083

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine (CID 115639747) is N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine is CSCC(C)NCc1nn(C)c2ccccc12.
What is the InChIKey of N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine?
The InChIKey is XRGRVRXNLPEOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-10(9-17-3)14-8-12-11-6-4-5-7-13(11)16(2)15-12/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine?
N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 115639747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).