N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine

C14H19N3S — CID 112678538

IUPACN-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine
SMILESCCC(NC)c1ccccc1Sc1nccn1C
InChIInChI=1S/C14H19N3S/c1-4-12(15-2)11-7-5-6-8-13(11)18-14-16-9-10-17(14)3/h5-10,12,15H,4H2,1-3H3
InChIKeyADGICNJZACAGOT-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.24
Rot. Bonds5

About N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine

N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine (PubChem CID 112678538) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine
PubChem CID112678538
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine
SMILESCCC(NC)c1ccccc1Sc1nccn1C
InChIInChI=1S/C14H19N3S/c1-4-12(15-2)11-7-5-6-8-13(11)18-14-16-9-10-17(14)3/h5-10,12,15H,4H2,1-3H3
InChIKeyADGICNJZACAGOT-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-ol
CID 112680041
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine
CID 107780626
1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 112678556
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)sulfanylethanamine
CID 64619425
N-methyl-1-[2-(7H-purin-6-ylsulfanyl)phenyl]propan-1-amine
CID 115995838
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 115995797
1-methyl-2-(2-nitrophenyl)sulfanylimidazole
CID 3377097
[5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 107931425
1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 115995811
N-[1-[5-bromo-2-(1-methylimidazol-2-yl)sulfanylphenyl]ethyl]propan-1-amine
CID 82976192
1-[2-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]butan-2-amine
CID 114057597
1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile
CID 112678369

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine?
The IUPAC name of N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine (CID 112678538) is N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine is CCC(NC)c1ccccc1Sc1nccn1C.
What is the InChIKey of N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine?
The InChIKey is ADGICNJZACAGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-12(15-2)11-7-5-6-8-13(11)18-14-16-9-10-17(14)3/h5-10,12,15H,4H2,1-3H3.
What are the key properties of N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine?
N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine is sourced from PubChem (CID 112678538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).