5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile

C14H18N2S — CID 113250085

IUPAC5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNCC2CC3CCC2C3)s1
InChIInChI=1S/C14H18N2S/c15-7-13-3-4-14(17-13)9-16-8-12-6-10-1-2-11(12)5-10/h3-4,10-12,16H,1-2,5-6,8-9H2
InChIKeyNXSCDDPXHQGEGY-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.15
Rot. Bonds4

About 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile

5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile (PubChem CID 113250085) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile
PubChem CID113250085
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNCC2CC3CCC2C3)s1
InChIInChI=1S/C14H18N2S/c15-7-13-3-4-14(17-13)9-16-8-12-6-10-1-2-11(12)5-10/h3-4,10-12,16H,1-2,5-6,8-9H2
InChIKeyNXSCDDPXHQGEGY-UHFFFAOYSA-N
XLogP3.15
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine
CID 102835755
5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile
CID 107411515
5-[(1,4-dioxan-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115675625
5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile
CID 115675957
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275478
5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115696114
5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675851
4-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxybenzonitrile
CID 106787494
5-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]thiophene-2-carbonitrile
CID 113250087
5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115675503
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]methanamine
CID 62733927
1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 62733747

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile (CID 113250085) is 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile is N#Cc1ccc(CNCC2CC3CCC2C3)s1.
What is the InChIKey of 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile?
The InChIKey is NXSCDDPXHQGEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c15-7-13-3-4-14(17-13)9-16-8-12-6-10-1-2-11(12)5-10/h3-4,10-12,16H,1-2,5-6,8-9H2.
What are the key properties of 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile?
5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile has a molecular weight of 246.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 113250085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).