8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane

C19H24N4O3S — CID 123981470

IUPAC8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane
SMILESCOc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4)CC3)C2)nn1
InChIInChI=1S/C19H24N4O3S/c1-26-18-8-7-17(20-21-18)22-12-9-19(15-22)10-13-23(14-11-19)27(24,25)16-5-3-2-4-6-16/h2-8H,9-15H2,1H3
InChIKeyLDASPWRRPIIDCW-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.17
Rot. Bonds4

About 8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane

8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane (PubChem CID 123981470) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane
PubChem CID123981470
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane
SMILESCOc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4)CC3)C2)nn1
InChIInChI=1S/C19H24N4O3S/c1-26-18-8-7-17(20-21-18)22-12-9-19(15-22)10-13-23(14-11-19)27(24,25)16-5-3-2-4-6-16/h2-8H,9-15H2,1H3
InChIKeyLDASPWRRPIIDCW-UHFFFAOYSA-N
XLogP2.17
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3235527
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685
9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 3233376
1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97385294
4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine
CID 42154688
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
CID 97399392
9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72915450
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462
3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride
CID 155843749
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053001

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane (CID 123981470) is 8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane is COc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4)CC3)C2)nn1.
What is the InChIKey of 8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane?
The InChIKey is LDASPWRRPIIDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-26-18-8-7-17(20-21-18)22-12-9-19(15-22)10-13-23(14-11-19)27(24,25)16-5-3-2-4-6-16/h2-8H,9-15H2,1H3.
What are the key properties of 8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane?
8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane has a molecular weight of 388.49 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 123981470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).