5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide

C12H17N3OS — CID 59113585

IUPAC5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide
SMILESNCc1ccc(C(=O)N[C@H]2CN3CC[C@@H]2C3)s1
InChIInChI=1S/C12H17N3OS/c13-5-9-1-2-11(17-9)12(16)14-10-7-15-4-3-8(10)6-15/h1-2,8,10H,3-7,13H2,(H,14,16)/t8-,10+/m1/s1
InChIKeyPOHQWCOYUYNCLU-SCZZXKLOSA-N
MW251.35 g/mol
LogP0.64
Rot. Bonds3

About 5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide

5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide (PubChem CID 59113585) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide
PubChem CID59113585
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide
SMILESNCc1ccc(C(=O)N[C@H]2CN3CC[C@@H]2C3)s1
InChIInChI=1S/C12H17N3OS/c13-5-9-1-2-11(17-9)12(16)14-10-7-15-4-3-8(10)6-15/h1-2,8,10H,3-7,13H2,(H,14,16)/t8-,10+/m1/s1
InChIKeyPOHQWCOYUYNCLU-SCZZXKLOSA-N
XLogP0.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide
CID 22350872
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 59113572
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 10291113
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(3-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 20815167
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide
CID 18181430
3-(aminomethyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18069977
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-hydroxyphenoxy)thiophene-2-carboxamide
CID 18180782
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 23599499
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 10271460
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)thiophene-2-carboxamide
CID 18182118
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1H-imidazol-5-yl)thiophene-2-carboxamide
CID 18181434

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide (CID 59113585) is 5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide is NCc1ccc(C(=O)N[C@H]2CN3CC[C@@H]2C3)s1.
What is the InChIKey of 5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide?
The InChIKey is POHQWCOYUYNCLU-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-5-9-1-2-11(17-9)12(16)14-10-7-15-4-3-8(10)6-15/h1-2,8,10H,3-7,13H2,(H,14,16)/t8-,10+/m1/s1.
What are the key properties of 5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide?
5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 59113585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).