2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

C11H14N2S — CID 57355508

IUPAC2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
SMILESCCNc1sc2c(c1C#N)CCCC2
InChIInChI=1S/C11H14N2S/c1-2-13-11-9(7-12)8-5-3-4-6-10(8)14-11/h13H,2-6H2,1H3
InChIKeyLETQNPVBDXFAIJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.93
Rot. Bonds2

About 2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (PubChem CID 57355508) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
PubChem CID57355508
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
SMILESCCNc1sc2c(c1C#N)CCCC2
InChIInChI=1S/C11H14N2S/c1-2-13-11-9(7-12)8-5-3-4-6-10(8)14-11/h13H,2-6H2,1H3
InChIKeyLETQNPVBDXFAIJ-UHFFFAOYSA-N
XLogP2.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-methylpropanoate
CID 82316752
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanamide
CID 4134135
3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]propanoic acid
CID 82310364
2-[(3-bromophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 163409288
2-[(2-iodophenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
CID 163184701
N,N'-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide
CID 3131765
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(dipropylamino)propanamide
CID 34599896
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)heptanamide
CID 3334122
methyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamodithioate
CID 14903806
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(ethylamino)-2-methylpropanamide
CID 62839281
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methoxy-2-methylpropanamide
CID 103029098
2-amino-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentanamide
CID 61260035

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
The IUPAC name of 2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CID 57355508) is 2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
What is the SMILES notation for 2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
The canonical SMILES for 2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is CCNc1sc2c(c1C#N)CCCC2.
What is the InChIKey of 2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
The InChIKey is LETQNPVBDXFAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-13-11-9(7-12)8-5-3-4-6-10(8)14-11/h13H,2-6H2,1H3.
What are the key properties of 2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile has a molecular weight of 206.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is sourced from PubChem (CID 57355508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).