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

C14H17NS2 — CID 102832955

IUPAC2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCc1ccccc1SCC(N)c1ccsc1C
InChIInChI=1S/C14H17NS2/c1-10-5-3-4-6-14(10)17-9-13(15)12-7-8-16-11(12)2/h3-8,13H,9,15H2,1-2H3
InChIKeyKXPOMTINLPKJCV-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.16
Rot. Bonds4

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

2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine (PubChem CID 102832955) has the molecular formula C14H17NS2 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
PubChem CID102832955
Molecular FormulaC14H17NS2
Molecular Weight263.43 g/mol
Exact Mass263.08
IUPAC Name2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCc1ccccc1SCC(N)c1ccsc1C
InChIInChI=1S/C14H17NS2/c1-10-5-3-4-6-14(10)17-9-13(15)12-7-8-16-11(12)2/h3-8,13H,9,15H2,1-2H3
InChIKeyKXPOMTINLPKJCV-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)ethanamine
CID 102832948
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66096733
1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 106645751
1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 64649874
2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102840919
2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine
CID 81229140
2-(2-bromophenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol
CID 102831393
3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 103029545
2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832102
1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 107560396
2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103131003
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
CID 102842113

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine (CID 102832955) is 2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine is Cc1ccccc1SCC(N)c1ccsc1C.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine?
The InChIKey is KXPOMTINLPKJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS2/c1-10-5-3-4-6-14(10)17-9-13(15)12-7-8-16-11(12)2/h3-8,13H,9,15H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine?
2-(2-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-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 102832955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).