N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine

C15H19NS2 — CID 66097582

IUPACN-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine
SMILESCNC(CSc1ccccc1C)Cc1cccs1
InChIInChI=1S/C15H19NS2/c1-12-6-3-4-8-15(12)18-11-13(16-2)10-14-7-5-9-17-14/h3-9,13,16H,10-11H2,1-2H3
InChIKeyUYKIRFIFQJXTCQ-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.98
Rot. Bonds6

About N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine

N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 66097582) has the molecular formula C15H19NS2 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine
PubChem CID66097582
Molecular FormulaC15H19NS2
Molecular Weight277.46 g/mol
Exact Mass277.10
IUPAC NameN-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine
SMILESCNC(CSc1ccccc1C)Cc1cccs1
InChIInChI=1S/C15H19NS2/c1-12-6-3-4-8-15(12)18-11-13(16-2)10-14-7-5-9-17-14/h3-9,13,16H,10-11H2,1-2H3
InChIKeyUYKIRFIFQJXTCQ-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol
CID 64927552
N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79761270
1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 104802758
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 66051734
N-methyl-1-(2-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 61065069
N-methyl-1-thiophen-2-yltetradecan-2-amine
CID 63416157
N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine
CID 66098431
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66053086
1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
CID 79988196
1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81477797
1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66143104
1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053278

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine (CID 66097582) is N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine is CNC(CSc1ccccc1C)Cc1cccs1.
What is the InChIKey of N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is UYKIRFIFQJXTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS2/c1-12-6-3-4-8-15(12)18-11-13(16-2)10-14-7-5-9-17-14/h3-9,13,16H,10-11H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine?
N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 66097582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).