1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine

C14H18ClN3S — CID 79761997

IUPAC1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
SMILESCNC(CSc1ccccc1Cl)Cc1nccn1C
InChIInChI=1S/C14H18ClN3S/c1-16-11(9-14-17-7-8-18(14)2)10-19-13-6-4-3-5-12(13)15/h3-8,11,16H,9-10H2,1-2H3
InChIKeyMGGVYJCWXGPIOX-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.00
Rot. Bonds6

About 1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine

1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine (PubChem CID 79761997) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
PubChem CID79761997
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
SMILESCNC(CSc1ccccc1Cl)Cc1nccn1C
InChIInChI=1S/C14H18ClN3S/c1-16-11(9-14-17-7-8-18(14)2)10-19-13-6-4-3-5-12(13)15/h3-8,11,16H,9-10H2,1-2H3
InChIKeyMGGVYJCWXGPIOX-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79761270
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-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine
CID 66139956
1-(2-chlorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-one
CID 114529555
1-(2-chlorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 66139977
1-(3-chlorophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine
CID 79760892
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237757
N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine
CID 105167031
1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 103048819
1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752060
[4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine
CID 105237457

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine (CID 79761997) is 1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine is CNC(CSc1ccccc1Cl)Cc1nccn1C.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine?
The InChIKey is MGGVYJCWXGPIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-16-11(9-14-17-7-8-18(14)2)10-19-13-6-4-3-5-12(13)15/h3-8,11,16H,9-10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine?
1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine has a molecular weight of 295.84 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 79761997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).