N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride

C16H19ClN2OS2 — CID 67152116

IUPACN-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1C2CC3CC1CN(C3)C2)c1cc2ccsc2s1
InChIInChI=1S/C16H18N2OS2.ClH/c19-15(13-5-10-1-2-20-16(10)21-13)17-14-11-3-9-4-12(14)8-18(6-9)7-11;/h1-2,5,9,11-12,14H,3-4,6-8H2,(H,17,19);1H
InChIKeyBDDKAVBZWGPFQX-UHFFFAOYSA-N
MW354.93 g/mol
LogP3.45
Rot. Bonds2

About N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride

N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride (PubChem CID 67152116) has the molecular formula C16H19ClN2OS2 and a molecular weight of 354.93 g/mol. Its IUPAC name is N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride
PubChem CID67152116
Molecular FormulaC16H19ClN2OS2
Molecular Weight354.93 g/mol
Exact Mass354.06
IUPAC NameN-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1C2CC3CC1CN(C3)C2)c1cc2ccsc2s1
InChIInChI=1S/C16H18N2OS2.ClH/c19-15(13-5-10-1-2-20-16(10)21-13)17-14-11-3-9-4-12(14)8-18(6-9)7-11;/h1-2,5,9,11-12,14H,3-4,6-8H2,(H,17,19);1H
InChIKeyBDDKAVBZWGPFQX-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.93
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-methylthiophene-2-carboxamide
CID 53234404
N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-chlorothiophene-2-carboxamide
CID 141172259
N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide
CID 141172233
N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride
CID 141172267
N-[(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-pyridin-2-ylthiophene-2-carboxamide
CID 53235241
N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride
CID 141172253
bis(thieno[2,3-b]thiophen-5-yl)methanone
CID 70589799
1-thieno[2,3-b]thiophen-5-ylethanone
CID 15698036
N-(2-adamantyl)thiophene-2-carboxamide
CID 875243
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 66814630
2-hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid
CID 90847279
3-(thieno[3,2-b]thiophene-5-carbonylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 80722377

Frequently Asked Questions

What is the IUPAC name of N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride?
The IUPAC name of N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride (CID 67152116) is N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride?
The canonical SMILES for N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride is Cl.O=C(NC1C2CC3CC1CN(C3)C2)c1cc2ccsc2s1.
What is the InChIKey of N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride?
The InChIKey is BDDKAVBZWGPFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS2.ClH/c19-15(13-5-10-1-2-20-16(10)21-13)17-14-11-3-9-4-12(14)8-18(6-9)7-11;/h1-2,5,9,11-12,14H,3-4,6-8H2,(H,17,19);1H.
What are the key properties of N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride?
N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride has a molecular weight of 354.93 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)thieno[2,3-b]thiophene-5-carboxamide;hydrochloride is sourced from PubChem (CID 67152116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).