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

C13H24N2OS — CID 114236969

IUPAC3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCSCCCN(C)C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C13H24N2OS/c1-15(6-3-7-17-2)13(16)11-9-4-5-10(8-9)12(11)14/h9-12H,3-8,14H2,1-2H3
InChIKeyOAQAHQNVYZVPLU-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.57
Rot. Bonds5

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

3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 114236969) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID114236969
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCSCCCN(C)C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C13H24N2OS/c1-15(6-3-7-17-2)13(16)11-9-4-5-10(8-9)12(11)14/h9-12H,3-8,14H2,1-2H3
InChIKeyOAQAHQNVYZVPLU-UHFFFAOYSA-N
XLogP1.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119708504
3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119752879
3-amino-N-methyl-N-(2-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 84584219
3-amino-N-cyclopropyl-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119722177
3-amino-N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119800594
3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 64517297
3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 119695560
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841605
3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119707661
3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64517474
4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide
CID 112658919
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone
CID 116580735

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 114236969) is 3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is CSCCCN(C)C(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OAQAHQNVYZVPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-15(6-3-7-17-2)13(16)11-9-4-5-10(8-9)12(11)14/h9-12H,3-8,14H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(3-methylsulfanylpropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 114236969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).