3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C17H25N3O3S — CID 119771212

IUPAC3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCNS(=O)(=O)c1cccc(C(C)NC(=O)C2C3CCC(C3)C2N)c1
InChIInChI=1S/C17H25N3O3S/c1-10(11-4-3-5-14(9-11)24(22,23)19-2)20-17(21)15-12-6-7-13(8-12)16(15)18/h3-5,9-10,12-13,15-16,19H,6-8,18H2,1-2H3,(H,20,21)
InChIKeyKLQSDUXSBPNNNZ-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.15
Rot. Bonds5

About 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119771212) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119771212
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCNS(=O)(=O)c1cccc(C(C)NC(=O)C2C3CCC(C3)C2N)c1
InChIInChI=1S/C17H25N3O3S/c1-10(11-4-3-5-14(9-11)24(22,23)19-2)20-17(21)15-12-6-7-13(8-12)16(15)18/h3-5,9-10,12-13,15-16,19H,6-8,18H2,1-2H3,(H,20,21)
InChIKeyKLQSDUXSBPNNNZ-UHFFFAOYSA-N
XLogP1.15
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119669695
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119686309
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686308
3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119316345
3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119778488
3-amino-N-[1-(4-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119705788
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide
CID 119316352
N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79593537
(2S)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-phenylacetic acid
CID 104898576
3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119722000
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119316349

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119771212) is 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide is CNS(=O)(=O)c1cccc(C(C)NC(=O)C2C3CCC(C3)C2N)c1.
What is the InChIKey of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KLQSDUXSBPNNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-10(11-4-3-5-14(9-11)24(22,23)19-2)20-17(21)15-12-6-7-13(8-12)16(15)18/h3-5,9-10,12-13,15-16,19H,6-8,18H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119771212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).