6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine

C16H26N4O3S — CID 100637555

IUPAC6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine
SMILESCN(C)c1ccc(O[C@H]2CCN(S(=O)(=O)C3CCCCC3)C2)nn1
InChIInChI=1S/C16H26N4O3S/c1-19(2)15-8-9-16(18-17-15)23-13-10-11-20(12-13)24(21,22)14-6-4-3-5-7-14/h8-9,13-14H,3-7,10-12H2,1-2H3/t13-/m0/s1
InChIKeyNYDXIQVISBFMAB-ZDUSSCGKSA-N
MW354.48 g/mol
LogP1.66
Rot. Bonds5

About 6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine

6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine (PubChem CID 100637555) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine
PubChem CID100637555
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine
SMILESCN(C)c1ccc(O[C@H]2CCN(S(=O)(=O)C3CCCCC3)C2)nn1
InChIInChI=1S/C16H26N4O3S/c1-19(2)15-8-9-16(18-17-15)23-13-10-11-20(12-13)24(21,22)14-6-4-3-5-7-14/h8-9,13-14H,3-7,10-12H2,1-2H3/t13-/m0/s1
InChIKeyNYDXIQVISBFMAB-ZDUSSCGKSA-N
XLogP1.66
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine
CID 91627439
6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine
CID 90639842
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90639608
3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624713
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627626
N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639762
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 100635081
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 100637237
1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 90639595
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90639768
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 90639804
N-(4-chlorophenyl)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639766

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine?
The IUPAC name of 6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine (CID 100637555) is 6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine?
The canonical SMILES for 6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine is CN(C)c1ccc(O[C@H]2CCN(S(=O)(=O)C3CCCCC3)C2)nn1.
What is the InChIKey of 6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine?
The InChIKey is NYDXIQVISBFMAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-19(2)15-8-9-16(18-17-15)23-13-10-11-20(12-13)24(21,22)14-6-4-3-5-7-14/h8-9,13-14H,3-7,10-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine?
6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine has a molecular weight of 354.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine is sourced from PubChem (CID 100637555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).