2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline

C13H15NS2 — CID 62577112

IUPAC2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline
SMILESCc1ccccc1NCCSc1cccs1
InChIInChI=1S/C13H15NS2/c1-11-5-2-3-6-12(11)14-8-10-16-13-7-4-9-15-13/h2-7,9,14H,8,10H2,1H3
InChIKeyZVHDTMTWVCVFEJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.26
Rot. Bonds5

About 2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline

2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline (PubChem CID 62577112) has the molecular formula C13H15NS2 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline
PubChem CID62577112
Molecular FormulaC13H15NS2
Molecular Weight249.40 g/mol
Exact Mass249.06
IUPAC Name2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline
SMILESCc1ccccc1NCCSc1cccs1
InChIInChI=1S/C13H15NS2/c1-11-5-2-3-6-12(11)14-8-10-16-13-7-4-9-15-13/h2-7,9,14H,8,10H2,1H3
InChIKeyZVHDTMTWVCVFEJ-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 566162
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)aniline
CID 44369431
(2-Methylphenyl)[(5-nitro-2-thienyl)methyl]amine
CID 783926
N,N-diethyl-4-{[(2-thienylmethyl)amino]methyl}aniline hydrochloride
CID 2976089
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N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4598533
N-benzyl-N'-(2-methylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 16193217
2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline
CID 10039780
2-amino-N,N-dimethyl-alpha-(3-methyl-2-thienyl)benzeneethanamine
CID 10061179
2,2,4-Trimethyl-6-(3-methylthiophen-2-yl)-1,2-dihydroquinoline
CID 23433451
N-[2-(dimethylamino)ethyl]-N'-(2-ethylphenyl)-N-(thien-2-ylmethyl)thiourea
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CID 800183

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline?
The IUPAC name of 2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline (CID 62577112) is 2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline.
What is the SMILES notation for 2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline?
The canonical SMILES for 2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline is Cc1ccccc1NCCSc1cccs1.
What is the InChIKey of 2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline?
The InChIKey is ZVHDTMTWVCVFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS2/c1-11-5-2-3-6-12(11)14-8-10-16-13-7-4-9-15-13/h2-7,9,14H,8,10H2,1H3.
What are the key properties of 2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline?
2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline has a molecular weight of 249.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline is sourced from PubChem (CID 62577112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).