2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile

C9H11N3S — CID 153377652

IUPAC2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCNCC2
InChIInChI=1S/C9H11N3S/c10-5-7-6-1-3-12-4-2-8(6)13-9(7)11/h12H,1-4,11H2
InChIKeySCXANMSJRNKBRE-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.89
Rot. Bonds

About 2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile

2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile (PubChem CID 153377652) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile
PubChem CID153377652
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCNCC2
InChIInChI=1S/C9H11N3S/c10-5-7-6-1-3-12-4-2-8(6)13-9(7)11/h12H,1-4,11H2
InChIKeySCXANMSJRNKBRE-UHFFFAOYSA-N
XLogP0.89
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
CID 601417
2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
CID 605976
2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile
CID 130239743
2-amino-6-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 913228
6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 42281672
2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 2887397
(2-amino-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-6-yl)methyl acetate
CID 58152454
(5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid
CID 99996019
3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 115609043
2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile
CID 146279844
2-(2,5-dihydropyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 65418782
2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 71862576

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile?
The IUPAC name of 2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile (CID 153377652) is 2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile.
What is the SMILES notation for 2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile?
The canonical SMILES for 2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile is N#Cc1c(N)sc2c1CCNCC2.
What is the InChIKey of 2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile?
The InChIKey is SCXANMSJRNKBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c10-5-7-6-1-3-12-4-2-8(6)13-9(7)11/h12H,1-4,11H2.
What are the key properties of 2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile?
2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile has a molecular weight of 193.27 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile is sourced from PubChem (CID 153377652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).