2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine

C14H17NS2 — CID 102832948

IUPAC2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCc1cccc(SCC(N)c2ccsc2C)c1
InChIInChI=1S/C14H17NS2/c1-10-4-3-5-12(8-10)17-9-14(15)13-6-7-16-11(13)2/h3-8,14H,9,15H2,1-2H3
InChIKeyZYYVLCGZSOPCEC-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.16
Rot. Bonds4

About 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine

2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine (PubChem CID 102832948) has the molecular formula C14H17NS2 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
PubChem CID102832948
Molecular FormulaC14H17NS2
Molecular Weight263.43 g/mol
Exact Mass263.08
IUPAC Name2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCc1cccc(SCC(N)c2ccsc2C)c1
InChIInChI=1S/C14H17NS2/c1-10-4-3-5-12(8-10)17-9-14(15)13-6-7-16-11(13)2/h3-8,14H,9,15H2,1-2H3
InChIKeyZYYVLCGZSOPCEC-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol
CID 102831390
2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66086595
2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832955
1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086989
1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66088925
1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 105395116
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086016
ethane;1-(3-methylphenyl)sulfanylpropan-2-amine
CID 145087254
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 79825784
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine
CID 64634951

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine (CID 102832948) is 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine is Cc1cccc(SCC(N)c2ccsc2C)c1.
What is the InChIKey of 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine?
The InChIKey is ZYYVLCGZSOPCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS2/c1-10-4-3-5-12(8-10)17-9-14(15)13-6-7-16-11(13)2/h3-8,14H,9,15H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine?
2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine has a molecular weight of 263.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 102832948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).