3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

C16H24N2OS — CID 119804174

IUPAC3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(CNC(=O)C1C2CCC(C2)C1N)Cc1cccs1
InChIInChI=1S/C16H24N2OS/c1-10(7-13-3-2-6-20-13)9-18-16(19)14-11-4-5-12(8-11)15(14)17/h2-3,6,10-12,14-15H,4-5,7-9,17H2,1H3,(H,18,19)
InChIKeyOVBIZRYPIYAVHZ-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.42
Rot. Bonds5

About 3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119804174) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119804174
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(CNC(=O)C1C2CCC(C2)C1N)Cc1cccs1
InChIInChI=1S/C16H24N2OS/c1-10(7-13-3-2-6-20-13)9-18-16(19)14-11-4-5-12(8-11)15(14)17/h2-3,6,10-12,14-15H,4-5,7-9,17H2,1H3,(H,18,19)
InChIKeyOVBIZRYPIYAVHZ-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119831481
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-thiophen-2-ylethanone
CID 116580716
3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride
CID 120501636
3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414
N-[2-[[N'-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111673542
4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide
CID 119335347
3-amino-N-[2-(2-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119804798
3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119859900
3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119841278
N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide
CID 119804198
3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119669695
3-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119737448

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 119804174) is 3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(CNC(=O)C1C2CCC(C2)C1N)Cc1cccs1.
What is the InChIKey of 3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OVBIZRYPIYAVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-10(7-13-3-2-6-20-13)9-18-16(19)14-11-4-5-12(8-11)15(14)17/h2-3,6,10-12,14-15H,4-5,7-9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119804174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).