N-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide

C16H17N3O3S2 — CID 87052760

IUPACN-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2C[C@H]1N(S(=O)(=O)c1cccnc1)C2)c1cccs1
InChIInChI=1S/C16H17N3O3S2/c20-16(15-4-2-6-23-15)18-13-7-11-8-14(13)19(10-11)24(21,22)12-3-1-5-17-9-12/h1-6,9,11,13-14H,7-8,10H2,(H,18,20)/t11-,13+,14-/m1/s1
InChIKeyQBBUUYBVBWBEHN-KWCYVHTRSA-N
MW363.46 g/mol
LogP1.72
Rot. Bonds4

About N-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide

N-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide (PubChem CID 87052760) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
PubChem CID87052760
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC NameN-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2C[C@H]1N(S(=O)(=O)c1cccnc1)C2)c1cccs1
InChIInChI=1S/C16H17N3O3S2/c20-16(15-4-2-6-23-15)18-13-7-11-8-14(13)19(10-11)24(21,22)12-3-1-5-17-9-12/h1-6,9,11,13-14H,7-8,10H2,(H,18,20)/t11-,13+,14-/m1/s1
InChIKeyQBBUUYBVBWBEHN-KWCYVHTRSA-N
XLogP1.72
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,4R,6S)-2-(3-chloro-4-methoxyphenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
CID 87052765
N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052706
N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 87052672
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 55641194
N-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602021
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
N-[1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-thiophen-2-ylpropan-2-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 91475006
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 90521319
N'-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]thiophene-2-carbohydrazide
CID 9479284
cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133119861
N-[(1R,4R,6S)-2-[3-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052678
N-(2-adamantyl)thiophene-2-carboxamide
CID 875243

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide (CID 87052760) is N-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide is O=C(N[C@H]1C[C@@H]2C[C@H]1N(S(=O)(=O)c1cccnc1)C2)c1cccs1.
What is the InChIKey of N-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide?
The InChIKey is QBBUUYBVBWBEHN-KWCYVHTRSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c20-16(15-4-2-6-23-15)18-13-7-11-8-14(13)19(10-11)24(21,22)12-3-1-5-17-9-12/h1-6,9,11,13-14H,7-8,10H2,(H,18,20)/t11-,13+,14-/m1/s1.
What are the key properties of N-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide?
N-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide is sourced from PubChem (CID 87052760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).