N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline

C13H14ClNS2 — CID 43683406

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NC(C)c1ccc(Cl)s1
InChIInChI=1S/C13H14ClNS2/c1-9(11-7-8-13(14)17-11)15-10-5-3-4-6-12(10)16-2/h3-9,15H,1-2H3
InChIKeyBEGRXUCQAHMZDB-UHFFFAOYSA-N
MW283.85 g/mol
LogP5.30
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline (PubChem CID 43683406) has the molecular formula C13H14ClNS2 and a molecular weight of 283.85 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline
PubChem CID43683406
Molecular FormulaC13H14ClNS2
Molecular Weight283.85 g/mol
Exact Mass283.03
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NC(C)c1ccc(Cl)s1
InChIInChI=1S/C13H14ClNS2/c1-9(11-7-8-13(14)17-11)15-10-5-3-4-6-12(10)16-2/h3-9,15H,1-2H3
InChIKeyBEGRXUCQAHMZDB-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.85
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 43438953
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline
CID 43381990
2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43439175
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
CID 43439198
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 104540086
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylaniline
CID 102976894
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline
CID 43439176
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine
CID 43438935
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine
CID 61472818
N-[1-(4-bromothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 107354018
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43692550

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline (CID 43683406) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline is CSc1ccccc1NC(C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline?
The InChIKey is BEGRXUCQAHMZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS2/c1-9(11-7-8-13(14)17-11)15-10-5-3-4-6-12(10)16-2/h3-9,15H,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline has a molecular weight of 283.85 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline is sourced from PubChem (CID 43683406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).