N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide

C13H17NOS — CID 98153739

IUPACN-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccs1
InChIInChI=1S/C13H17NOS/c15-13(12-2-1-5-16-12)14-8-11-7-9-3-4-10(11)6-9/h1-2,5,9-11H,3-4,6-8H2,(H,14,15)/t9-,10-,11-/m1/s1
InChIKeyUMDFYPUNCLCKTA-GMTAPVOTSA-N
MW235.35 g/mol
LogP2.91
Rot. Bonds3

About N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide

N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide (PubChem CID 98153739) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide
PubChem CID98153739
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccs1
InChIInChI=1S/C13H17NOS/c15-13(12-2-1-5-16-12)14-8-11-7-9-3-4-10(11)6-9/h1-2,5,9-11H,3-4,6-8H2,(H,14,15)/t9-,10-,11-/m1/s1
InChIKeyUMDFYPUNCLCKTA-GMTAPVOTSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
CID 98155306
N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide
CID 114302998
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]thiophene-2-carboxamide
CID 129376616
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63684649
N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548401
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine
CID 63689796
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide
CID 63683122
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724674
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide
CID 113229546
N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide
CID 71645410
2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79331651
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(N'-hydroxycarbamimidoyl)benzamide
CID 77017130

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide (CID 98153739) is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccs1.
What is the InChIKey of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide?
The InChIKey is UMDFYPUNCLCKTA-GMTAPVOTSA-N. The full InChI is InChI=1S/C13H17NOS/c15-13(12-2-1-5-16-12)14-8-11-7-9-3-4-10(11)6-9/h1-2,5,9-11H,3-4,6-8H2,(H,14,15)/t9-,10-,11-/m1/s1.
What are the key properties of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide?
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide has a molecular weight of 235.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 98153739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).