N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide

C23H31N3O4S — CID 71248984

IUPACN-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCC(C)(NS(=O)(=O)c1cccc2cccnc12)C(=O)NC1C(CO)CC2CCCC1C2
InChIInChI=1S/C23H31N3O4S/c1-23(2,22(28)25-20-17-8-3-6-15(12-17)13-18(20)14-27)26-31(29,30)19-10-4-7-16-9-5-11-24-21(16)19/h4-5,7,9-11,15,17-18,20,26-27H,3,6,8,12-14H2,1-2H3,(H,25,28)
InChIKeySHZOSYVNODYZMW-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.60
Rot. Bonds6

About N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide

N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide (PubChem CID 71248984) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
PubChem CID71248984
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCC(C)(NS(=O)(=O)c1cccc2cccnc12)C(=O)NC1C(CO)CC2CCCC1C2
InChIInChI=1S/C23H31N3O4S/c1-23(2,22(28)25-20-17-8-3-6-15(12-17)13-18(20)14-27)26-31(29,30)19-10-4-7-16-9-5-11-24-21(16)19/h4-5,7,9-11,15,17-18,20,26-27H,3,6,8,12-14H2,1-2H3,(H,25,28)
InChIKeySHZOSYVNODYZMW-UHFFFAOYSA-N
XLogP2.60
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 71246516
3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide
CID 90294234
methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate
CID 71246852
N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide
CID 71246706
N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide
CID 71247729
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
(1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
CID 96565285
N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880566
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 92667491
N-(1-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 22772541
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide
CID 22772493

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide (CID 71248984) is N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide is CC(C)(NS(=O)(=O)c1cccc2cccnc12)C(=O)NC1C(CO)CC2CCCC1C2.
What is the InChIKey of N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The InChIKey is SHZOSYVNODYZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-23(2,22(28)25-20-17-8-3-6-15(12-17)13-18(20)14-27)26-31(29,30)19-10-4-7-16-9-5-11-24-21(16)19/h4-5,7,9-11,15,17-18,20,26-27H,3,6,8,12-14H2,1-2H3,(H,25,28).
What are the key properties of N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide?
N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide has a molecular weight of 445.59 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide is sourced from PubChem (CID 71248984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).