N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine

C14H19N3S — CID 66088931

IUPACN-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(CSc1cccc(C)c1)c1cnn(C)c1
InChIInChI=1S/C14H19N3S/c1-11-5-4-6-13(7-11)18-10-14(15-2)12-8-16-17(3)9-12/h4-9,14-15H,10H2,1-3H3
InChIKeyOCFLHGBYPPSRAA-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.78
Rot. Bonds5

About N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine

N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 66088931) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID66088931
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(CSc1cccc(C)c1)c1cnn(C)c1
InChIInChI=1S/C14H19N3S/c1-11-5-4-6-13(7-11)18-10-14(15-2)12-8-16-17(3)9-12/h4-9,14-15H,10H2,1-3H3
InChIKeyOCFLHGBYPPSRAA-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105237107
N-methyl-1-(1-methylpyrazol-4-yl)-2-phenylsulfanylethanamine
CID 65142083
N-methyl-2-(3-methylphenyl)sulfanyl-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 112744024
1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 66086804
N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104689
1-(2,4-dimethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64628158
1-(cyclohexen-1-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 106653438
1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 64625685
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 102647649
N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485902
N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104810
2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65140108

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine (CID 66088931) is N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine is CNC(CSc1cccc(C)c1)c1cnn(C)c1.
What is the InChIKey of N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is OCFLHGBYPPSRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-5-4-6-13(7-11)18-10-14(15-2)12-8-16-17(3)9-12/h4-9,14-15H,10H2,1-3H3.
What are the key properties of N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine?
N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 261.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 66088931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).