3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C14H21ClN2OS — CID 119707047

IUPAC3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1ccsc1CNC(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-8-4-5-18-11(8)7-16-14(17)12-9-2-3-10(6-9)13(12)15;/h4-5,9-10,12-13H,2-3,6-7,15H2,1H3,(H,16,17);1H
InChIKeyYFJQRHWEJGTZDQ-UHFFFAOYSA-N
MW300.86 g/mol
LogP2.47
Rot. Bonds3

About 3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119707047) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is 3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119707047
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC Name3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1ccsc1CNC(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-8-4-5-18-11(8)7-16-14(17)12-9-2-3-10(6-9)13(12)15;/h4-5,9-10,12-13H,2-3,6-7,15H2,1H3,(H,16,17);1H
InChIKeyYFJQRHWEJGTZDQ-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[(3-bromothiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119759831
3-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119877178
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119727864
3-amino-N-[(2,4-dimethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119715901
3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103808876
3-amino-N-[(5-chlorothiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119730051
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
3-amino-N-[(4-methylsulfanylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119747894
4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide
CID 102629053
3-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119737448
(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119707041

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119707047) is 3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cc1ccsc1CNC(=O)C1C2CCC(C2)C1N.Cl.
What is the InChIKey of 3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is YFJQRHWEJGTZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-8-4-5-18-11(8)7-16-14(17)12-9-2-3-10(6-9)13(12)15;/h4-5,9-10,12-13H,2-3,6-7,15H2,1H3,(H,16,17);1H.
What are the key properties of 3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 300.86 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119707047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).