N-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline

C17H17NS3 — CID 60935812

IUPACN-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline
SMILESCCSc1ccccc1NC(c1cccs1)c1cccs1
InChIInChI=1S/C17H17NS3/c1-2-19-14-8-4-3-7-13(14)18-17(15-9-5-11-20-15)16-10-6-12-21-16/h3-12,17-18H,2H2,1H3
InChIKeyNZUAYBXROQEOMO-UHFFFAOYSA-N
MW331.53 g/mol
LogP6.12
Rot. Bonds6

About N-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline

N-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline (PubChem CID 60935812) has the molecular formula C17H17NS3 and a molecular weight of 331.53 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline
PubChem CID60935812
Molecular FormulaC17H17NS3
Molecular Weight331.53 g/mol
Exact Mass331.05
IUPAC NameN-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline
SMILESCCSc1ccccc1NC(c1cccs1)c1cccs1
InChIInChI=1S/C17H17NS3/c1-2-19-14-8-4-3-7-13(14)18-17(15-9-5-11-20-15)16-10-6-12-21-16/h3-12,17-18H,2H2,1H3
InChIKeyNZUAYBXROQEOMO-UHFFFAOYSA-N
XLogP6.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.53
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(dithiophen-2-ylmethyl)-2-ethylaniline
CID 43764558
N-(2-ethylsulfanylphenyl)-2-thiophen-2-ylacetamide
CID 94624110
2-ethylsulfanyl-N-(1-ethylsulfonylpropan-2-yl)aniline
CID 115929080
4-bromo-N-(dithiophen-2-ylmethyl)-2-ethylaniline
CID 81287893
5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol
CID 107706134
2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline
CID 63453355
2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43757202
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-ethylsulfanylaniline
CID 63453265
N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine
CID 62694333
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline
CID 63752779
N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline
CID 60935431
N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline?
The IUPAC name of N-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline (CID 60935812) is N-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline?
The canonical SMILES for N-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline is CCSc1ccccc1NC(c1cccs1)c1cccs1.
What is the InChIKey of N-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline?
The InChIKey is NZUAYBXROQEOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS3/c1-2-19-14-8-4-3-7-13(14)18-17(15-9-5-11-20-15)16-10-6-12-21-16/h3-12,17-18H,2H2,1H3.
What are the key properties of N-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline?
N-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline has a molecular weight of 331.53 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline is sourced from PubChem (CID 60935812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).