5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile

C10H14N2OS2 — CID 115675853

IUPAC5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile
SMILESCCS(=O)CCNCc1ccc(C#N)s1
InChIInChI=1S/C10H14N2OS2/c1-2-15(13)6-5-12-8-10-4-3-9(7-11)14-10/h3-4,12H,2,5-6,8H2,1H3
InChIKeyGJGSSHLJGWOYHG-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.48
Rot. Bonds6

About 5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile

5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile (PubChem CID 115675853) has the molecular formula C10H14N2OS2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile
PubChem CID115675853
Molecular FormulaC10H14N2OS2
Molecular Weight242.37 g/mol
Exact Mass242.05
IUPAC Name5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile
SMILESCCS(=O)CCNCc1ccc(C#N)s1
InChIInChI=1S/C10H14N2OS2/c1-2-15(13)6-5-12-8-10-4-3-9(7-11)14-10/h3-4,12H,2,5-6,8H2,1H3
InChIKeyGJGSSHLJGWOYHG-UHFFFAOYSA-N
XLogP1.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
(Propan-2-yl)(thiophen-2-ylmethyl)amine
CID 17052885
Ethyl[(thiophen-2-yl)methyl]amine hydrochloride
CID 17290737
N,N-Dimethyl-N'-thiophen-2-ylmethyl-propane-1,3-diamine
CID 2060372
n-((5-Methylthiophen-2-yl)methyl)-2-(thiophen-2-yl)ethan-1-amine
CID 8024971
2-(2-Thenylamino)ethanethiol
CID 83960376
5-[(7-Methyl-1,1-dioxo-1,4-thiazepan-4-yl)methyl]thiophene-2-carbonitrile
CID 119049388
3-(Methyl(thiophen-2-ylmethyl)amino)propanenitrile
CID 28387217
N-(thiophen-2-ylmethyl)butan-1-amine
CID 1605600
N-(thiophen-2-ylmethyl)hexan-1-amine
CID 4716762
4-(2-Thiophen-2-ylethylamino)butanenitrile
CID 28582419

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile (CID 115675853) is 5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile is CCS(=O)CCNCc1ccc(C#N)s1.
What is the InChIKey of 5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile?
The InChIKey is GJGSSHLJGWOYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS2/c1-2-15(13)6-5-12-8-10-4-3-9(7-11)14-10/h3-4,12H,2,5-6,8H2,1H3.
What are the key properties of 5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile?
5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile has a molecular weight of 242.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115675853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).