2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile

C16H23N3S — CID 146279844

IUPAC2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCCN(CC1CCCCC1)C2
InChIInChI=1S/C16H23N3S/c17-9-14-13-7-4-8-19(11-15(13)20-16(14)18)10-12-5-2-1-3-6-12/h12H,1-8,10-11,18H2
InChIKeyQUNJVKKHPMRKQY-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.53
Rot. Bonds2

About 2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile

2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile (PubChem CID 146279844) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile
PubChem CID146279844
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCCN(CC1CCCCC1)C2
InChIInChI=1S/C16H23N3S/c17-9-14-13-7-4-8-19(11-15(13)20-16(14)18)10-12-5-2-1-3-6-12/h12H,1-8,10-11,18H2
InChIKeyQUNJVKKHPMRKQY-UHFFFAOYSA-N
XLogP3.53
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile;methyl N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]methanimidate
CID 163531124
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-3-cyano-N-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 82098264
2-amino-6-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 913228
methyl N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]methanimidate
CID 163530608
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-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 82098250
2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile
CID 153377652
(2-amino-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-6-yl)methyl acetate
CID 58152454
5-(cyclohexylmethyl)-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile;methyl N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]methanimidate
CID 163816486

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile?
The IUPAC name of 2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile (CID 146279844) is 2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile?
The canonical SMILES for 2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile is N#Cc1c(N)sc2c1CCCN(CC1CCCCC1)C2.
What is the InChIKey of 2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile?
The InChIKey is QUNJVKKHPMRKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c17-9-14-13-7-4-8-19(11-15(13)20-16(14)18)10-12-5-2-1-3-6-12/h12H,1-8,10-11,18H2.
What are the key properties of 2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile?
2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile has a molecular weight of 289.45 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(cyclohexylmethyl)-4,5,6,8-tetrahydrothieno[2,3-c]azepine-3-carbonitrile is sourced from PubChem (CID 146279844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).