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

C10H14N2OS — CID 115675598

IUPAC5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile
SMILESCCOCCNCc1ccc(C#N)s1
InChIInChI=1S/C10H14N2OS/c1-2-13-6-5-12-8-10-4-3-9(7-11)14-10/h3-4,12H,2,5-6,8H2,1H3
InChIKeyNFAMFRJGWCKDLP-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.75
Rot. Bonds6

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

5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile (PubChem CID 115675598) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile
PubChem CID115675598
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile
SMILESCCOCCNCc1ccc(C#N)s1
InChIInChI=1S/C10H14N2OS/c1-2-13-6-5-12-8-10-4-3-9(7-11)14-10/h3-4,12H,2,5-6,8H2,1H3
InChIKeyNFAMFRJGWCKDLP-UHFFFAOYSA-N
XLogP1.75
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.75
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

(5-Methyl-thiophen-2-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrochloride
CID 2966635
2-[(2-{[(5-Methyl-2-thienyl)methyl]amino}ethyl)amino]ethanol dihydrochloride
CID 16189723
[3-(Morpholin-4-yl)propyl](thiophen-2-ylmethyl)amine hydrochloride
CID 9551938
2-Morpholino-2-(2-thienyl)acetonitrile
CID 2797894
(2-Morpholin-4-ylethyl)(2-thienylmethyl)amine
CID 1817903
2-(5-Methylthiophen-2-yl)-2-(morpholin-4-yl)ethan-1-amine
CID 43146823
(2-Methoxyethyl)[(thiophen-2-yl)methyl]amine
CID 4719999
N-(3-Methoxypropyl)-N-(thien-2-ylmethyl)amine
CID 17206465
2-Morpholin-4-yl-2-thiophen-2-ylacetonitrile;hydrochloride
CID 45264771
1-(4-ethylmorpholin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 53617391
1-{[(5-Methylthiophen-2-yl)methyl]amino}propan-2-ol
CID 3157956
(3-Morpholin-4-yl-propyl)-thiophen-2-ylmethyl-amine
CID 2117475

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile (CID 115675598) is 5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile is CCOCCNCc1ccc(C#N)s1.
What is the InChIKey of 5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile?
The InChIKey is NFAMFRJGWCKDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-13-6-5-12-8-10-4-3-9(7-11)14-10/h3-4,12H,2,5-6,8H2,1H3.
What are the key properties of 5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile?
5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile has a molecular weight of 210.30 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115675598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).