2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide

C11H15N3OS — CID 115675429

IUPAC2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1ccc(C#N)s1
InChIInChI=1S/C11H15N3OS/c1-3-13-11(15)8(2)14-7-10-5-4-9(6-12)16-10/h4-5,8,14H,3,7H2,1-2H3,(H,13,15)
InChIKeyASPRJCAXDKRQNZ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.23
Rot. Bonds5

About 2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide

2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide (PubChem CID 115675429) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide
PubChem CID115675429
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1ccc(C#N)s1
InChIInChI=1S/C11H15N3OS/c1-3-13-11(15)8(2)14-7-10-5-4-9(6-12)16-10/h4-5,8,14H,3,7H2,1-2H3,(H,13,15)
InChIKeyASPRJCAXDKRQNZ-UHFFFAOYSA-N
XLogP1.23
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide
CID 81495688
5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 104586907
5-[(1-hydroxybutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675340
2-[(5-cyanothiophen-2-yl)methylamino]-3-methoxypropanamide
CID 115774710
5-[(3,3-dimethylbutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675860
5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
CID 115675878
5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675866
5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675962
5-[(heptan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675332
N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 61067131
5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile
CID 115675303
2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide
CID 43400116

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide (CID 115675429) is 2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide is CCNC(=O)C(C)NCc1ccc(C#N)s1.
What is the InChIKey of 2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide?
The InChIKey is ASPRJCAXDKRQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-13-11(15)8(2)14-7-10-5-4-9(6-12)16-10/h4-5,8,14H,3,7H2,1-2H3,(H,13,15).
What are the key properties of 2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide?
2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide has a molecular weight of 237.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide is sourced from PubChem (CID 115675429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).