3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

C10H10N2OS — CID 2741350

IUPAC3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESN#Cc1sc(C(N)=O)c2c1CCCC2
InChIInChI=1S/C10H10N2OS/c11-5-8-6-3-1-2-4-7(6)9(14-8)10(12)13/h1-4H2,(H2,12,13)
InChIKeyLQPALUCKRSVKKX-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.60
Rot. Bonds1

About 3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (PubChem CID 2741350) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.

Molecular Properties

Compound Name3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
PubChem CID2741350
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESN#Cc1sc(C(N)=O)c2c1CCCC2
InChIInChI=1S/C10H10N2OS/c11-5-8-6-3-1-2-4-7(6)9(14-8)10(12)13/h1-4H2,(H2,12,13)
InChIKeyLQPALUCKRSVKKX-UHFFFAOYSA-N
XLogP1.60
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Cyano-3,4-dimethylthiophene-2-carboxamide
CID 2804471
5-Cyano-3,4-diphenylthiophene-2-carboxamide
CID 2740149
5-Cyano-3,4-diethylthiophene-2-carboxamide
CID 2805513
2-Amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 13667340
5,5-difluoro-6,7-dihydro-4H-2-benzothiophene-1-carboxamide
CID 156344885
3-Cyano-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 159194894
4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carboxamide
CID 13308348
3-Fluoro-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxamide
CID 133059685
3,4-Dimethylthiophene-2,5-dicarboxamide
CID 2804605
3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbothioamide
CID 2820339
3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 21886017
3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 21976500

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The IUPAC name of 3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (CID 2741350) is 3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.
What is the SMILES notation for 3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The canonical SMILES for 3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is N#Cc1sc(C(N)=O)c2c1CCCC2.
What is the InChIKey of 3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The InChIKey is LQPALUCKRSVKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c11-5-8-6-3-1-2-4-7(6)9(14-8)10(12)13/h1-4H2,(H2,12,13).
What are the key properties of 3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide has a molecular weight of 206.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is sourced from PubChem (CID 2741350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).