N-methyl-3-thiophen-2-ylsulfanylaniline

C11H11NS2 — CID 117033150

IUPACN-methyl-3-thiophen-2-ylsulfanylaniline
SMILESCNc1cccc(Sc2cccs2)c1
InChIInChI=1S/C11H11NS2/c1-12-9-4-2-5-10(8-9)14-11-6-3-7-13-11/h2-8,12H,1H3
InChIKeyOZNFLIXITBPFFD-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.94
Rot. Bonds3

About N-methyl-3-thiophen-2-ylsulfanylaniline

N-methyl-3-thiophen-2-ylsulfanylaniline (PubChem CID 117033150) has the molecular formula C11H11NS2 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-methyl-3-thiophen-2-ylsulfanylaniline.

Molecular Properties

Compound NameN-methyl-3-thiophen-2-ylsulfanylaniline
PubChem CID117033150
Molecular FormulaC11H11NS2
Molecular Weight221.35 g/mol
Exact Mass221.03
IUPAC NameN-methyl-3-thiophen-2-ylsulfanylaniline
SMILESCNc1cccc(Sc2cccs2)c1
InChIInChI=1S/C11H11NS2/c1-12-9-4-2-5-10(8-9)14-11-6-3-7-13-11/h2-8,12H,1H3
InChIKeyOZNFLIXITBPFFD-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(3-methylphenyl)sulfanylaniline
CID 117033152
3-(3-chlorophenyl)sulfanyl-N-methylaniline
CID 117033156
N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 172719708
(2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol
CID 63813796
3-methyl-5-thiophen-2-ylsulfanylaniline
CID 112648742
N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80886717
2-(phenyldisulfanyl)thiophene
CID 154097796
3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one
CID 43586965
(1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
CID 28602971
2-(4-propylphenyl)sulfanylthiophene
CID 67533746
3-(4-bromoanilino)sulfanyl-N-methylaniline
CID 156859787
N-ethyl-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43286479

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-thiophen-2-ylsulfanylaniline?
The IUPAC name of N-methyl-3-thiophen-2-ylsulfanylaniline (CID 117033150) is N-methyl-3-thiophen-2-ylsulfanylaniline.
What is the SMILES notation for N-methyl-3-thiophen-2-ylsulfanylaniline?
The canonical SMILES for N-methyl-3-thiophen-2-ylsulfanylaniline is CNc1cccc(Sc2cccs2)c1.
What is the InChIKey of N-methyl-3-thiophen-2-ylsulfanylaniline?
The InChIKey is OZNFLIXITBPFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS2/c1-12-9-4-2-5-10(8-9)14-11-6-3-7-13-11/h2-8,12H,1H3.
What are the key properties of N-methyl-3-thiophen-2-ylsulfanylaniline?
N-methyl-3-thiophen-2-ylsulfanylaniline has a molecular weight of 221.35 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-thiophen-2-ylsulfanylaniline is sourced from PubChem (CID 117033150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).