N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine

C15H21N3S — CID 79761270

IUPACN-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1ccccc1C)Cc1nccn1C
InChIInChI=1S/C15H21N3S/c1-12-6-4-5-7-14(12)19-11-13(16-2)10-15-17-8-9-18(15)3/h4-9,13,16H,10-11H2,1-3H3
InChIKeyHYSFBNVSBVCQHZ-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.65
Rot. Bonds6

About N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine

N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine (PubChem CID 79761270) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
PubChem CID79761270
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1ccccc1C)Cc1nccn1C
InChIInChI=1S/C15H21N3S/c1-12-6-4-5-7-14(12)19-11-13(16-2)10-15-17-8-9-18(15)3/h4-9,13,16H,10-11H2,1-3H3
InChIKeyHYSFBNVSBVCQHZ-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761997
[4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine
CID 105237457
N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
CID 79752421
1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79752787
[1-(1-methylimidazol-2-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195404
N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine
CID 66097173
N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine
CID 105167031
N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine
CID 66097582
3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol
CID 64927552
4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79751381
1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 79752637
1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 105011635

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine (CID 79761270) is N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine is CNC(CSc1ccccc1C)Cc1nccn1C.
What is the InChIKey of N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is HYSFBNVSBVCQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12-6-4-5-7-14(12)19-11-13(16-2)10-15-17-8-9-18(15)3/h4-9,13,16H,10-11H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 79761270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).