N-(2-thiophen-2-ylsulfanylpropyl)aniline

C13H15NS2 — CID 62578377

IUPACN-(2-thiophen-2-ylsulfanylpropyl)aniline
SMILESCC(CNc1ccccc1)Sc1cccs1
InChIInChI=1S/C13H15NS2/c1-11(16-13-8-5-9-15-13)10-14-12-6-3-2-4-7-12/h2-9,11,14H,10H2,1H3
InChIKeyFNRAROVEXWTCRT-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.34
Rot. Bonds5

About N-(2-thiophen-2-ylsulfanylpropyl)aniline

N-(2-thiophen-2-ylsulfanylpropyl)aniline (PubChem CID 62578377) has the molecular formula C13H15NS2 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(2-thiophen-2-ylsulfanylpropyl)aniline.

Molecular Properties

Compound NameN-(2-thiophen-2-ylsulfanylpropyl)aniline
PubChem CID62578377
Molecular FormulaC13H15NS2
Molecular Weight249.40 g/mol
Exact Mass249.06
IUPAC NameN-(2-thiophen-2-ylsulfanylpropyl)aniline
SMILESCC(CNc1ccccc1)Sc1cccs1
InChIInChI=1S/C13H15NS2/c1-11(16-13-8-5-9-15-13)10-14-12-6-3-2-4-7-12/h2-9,11,14H,10H2,1H3
InChIKeyFNRAROVEXWTCRT-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine
CID 62578598
2-[(2S)-butan-2-yl]sulfanylthiophene
CID 89122667
N-(2-methylsulfanylpropyl)aniline
CID 62582287
N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline
CID 62578541
N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline
CID 55092272
N-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine
CID 62578599
N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline
CID 62580992
N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine
CID 64614845
N-(2-bromopropyl)aniline
CID 13183607
N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine
CID 64612750
4-(2-phenylsulfanylpropylamino)benzonitrile
CID 133324626
N-[2-(2-methoxyethylsulfanyl)propyl]aniline
CID 62577596

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylsulfanylpropyl)aniline?
The IUPAC name of N-(2-thiophen-2-ylsulfanylpropyl)aniline (CID 62578377) is N-(2-thiophen-2-ylsulfanylpropyl)aniline.
What is the SMILES notation for N-(2-thiophen-2-ylsulfanylpropyl)aniline?
The canonical SMILES for N-(2-thiophen-2-ylsulfanylpropyl)aniline is CC(CNc1ccccc1)Sc1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylsulfanylpropyl)aniline?
The InChIKey is FNRAROVEXWTCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS2/c1-11(16-13-8-5-9-15-13)10-14-12-6-3-2-4-7-12/h2-9,11,14H,10H2,1H3.
What are the key properties of N-(2-thiophen-2-ylsulfanylpropyl)aniline?
N-(2-thiophen-2-ylsulfanylpropyl)aniline has a molecular weight of 249.40 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylsulfanylpropyl)aniline is sourced from PubChem (CID 62578377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).