1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide

C20H28N4O2S — CID 159350919

IUPAC1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc(N2CC[C@@H](NS(=O)(=O)Cc3ccc(C(C)(C)C)cc3)C2)nn1
InChIInChI=1S/C20H28N4O2S/c1-15-5-10-19(22-21-15)24-12-11-18(13-24)23-27(25,26)14-16-6-8-17(9-7-16)20(2,3)4/h5-10,18,23H,11-14H2,1-4H3/t18-/m1/s1
InChIKeyOZPKFAGYRNXJMP-GOSISDBHSA-N
MW388.54 g/mol
LogP2.78
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide

1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 159350919) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID159350919
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc(N2CC[C@@H](NS(=O)(=O)Cc3ccc(C(C)(C)C)cc3)C2)nn1
InChIInChI=1S/C20H28N4O2S/c1-15-5-10-19(22-21-15)24-12-11-18(13-24)23-27(25,26)14-16-6-8-17(9-7-16)20(2,3)4/h5-10,18,23H,11-14H2,1-4H3/t18-/m1/s1
InChIKeyOZPKFAGYRNXJMP-GOSISDBHSA-N
XLogP2.78
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
CID 121142963
4-tert-butyl-N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 139547891
(2R)-2-methoxy-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]propane-1-sulfonamide
CID 124887107
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide
CID 157429869
N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide
CID 157429872
1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 99819249
N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
CID 165434698
N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide
CID 127912473
N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide
CID 71793990
N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171704970
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide (CID 159350919) is 1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide is Cc1ccc(N2CC[C@@H](NS(=O)(=O)Cc3ccc(C(C)(C)C)cc3)C2)nn1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is OZPKFAGYRNXJMP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-15-5-10-19(22-21-15)24-12-11-18(13-24)23-27(25,26)14-16-6-8-17(9-7-16)20(2,3)4/h5-10,18,23H,11-14H2,1-4H3/t18-/m1/s1.
What are the key properties of 1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide?
1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 388.54 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 159350919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).