5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile

C11H16N2S2 — CID 115675962

IUPAC5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
SMILESCCSCC(C)NCc1ccc(C#N)s1
InChIInChI=1S/C11H16N2S2/c1-3-14-8-9(2)13-7-11-5-4-10(6-12)15-11/h4-5,9,13H,3,7-8H2,1-2H3
InChIKeyAUTFHRPDNHHLDS-UHFFFAOYSA-N
MW240.40 g/mol
LogP2.85
Rot. Bonds6

About 5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile

5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile (PubChem CID 115675962) has the molecular formula C11H16N2S2 and a molecular weight of 240.40 g/mol. Its IUPAC name is 5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
PubChem CID115675962
Molecular FormulaC11H16N2S2
Molecular Weight240.40 g/mol
Exact Mass240.08
IUPAC Name5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
SMILESCCSCC(C)NCc1ccc(C#N)s1
InChIInChI=1S/C11H16N2S2/c1-3-14-8-9(2)13-7-11-5-4-10(6-12)15-11/h4-5,9,13H,3,7-8H2,1-2H3
InChIKeyAUTFHRPDNHHLDS-UHFFFAOYSA-N
XLogP2.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 104586907
5-[(heptan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675332
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675695
5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675866
5-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]thiophene-2-carbonitrile
CID 115675608
5-[[1-(3-chlorophenyl)propan-2-ylamino]methyl]thiophene-2-carbonitrile
CID 115675586
2-[5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophen-2-yl]acetic acid
CID 113498991
5-[(3,3-dimethylbutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675860
5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 113250050
5-[(1-hydroxybutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675340
5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
CID 115675878
2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide
CID 115675429

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile (CID 115675962) is 5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile is CCSCC(C)NCc1ccc(C#N)s1.
What is the InChIKey of 5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
The InChIKey is AUTFHRPDNHHLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S2/c1-3-14-8-9(2)13-7-11-5-4-10(6-12)15-11/h4-5,9,13H,3,7-8H2,1-2H3.
What are the key properties of 5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile?
5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile has a molecular weight of 240.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylsulfanylpropan-2-ylamino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115675962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).