3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide

C12H23N3O3S — CID 103809087

IUPAC3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C12H23N3O3S/c1-19(17,18)15-6-2-5-14-12(16)10-8-3-4-9(7-8)11(10)13/h8-11,15H,2-7,13H2,1H3,(H,14,16)
InChIKeyCUXIRNBZPWGGEG-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.58
Rot. Bonds6

About 3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 103809087) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID103809087
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C12H23N3O3S/c1-19(17,18)15-6-2-5-14-12(16)10-8-3-4-9(7-8)11(10)13/h8-11,15H,2-7,13H2,1H3,(H,14,16)
InChIKeyCUXIRNBZPWGGEG-UHFFFAOYSA-N
XLogP-0.58
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119728915
3-amino-N-(3-propoxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 82942435
3-amino-N-(4-ethoxybutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722400
3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 114158982
3-amino-N-(3-benzylsulfonylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119727947
3-amino-N-(5-piperidin-1-ylpentyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119885437
3-amino-N-[4-(N-methylanilino)butyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119861966
3-amino-N-[3-(tert-butylamino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119773936
3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726704
3-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 115738484
3-amino-N-[3-(oxan-4-ylmethoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119799999
3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 103809087) is 3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide is CS(=O)(=O)NCCCNC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CUXIRNBZPWGGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-19(17,18)15-6-2-5-14-12(16)10-8-3-4-9(7-8)11(10)13/h8-11,15H,2-7,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(methanesulfonamido)propyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 103809087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).