(5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane

C18H23N3O2S — CID 125436956

IUPAC(5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane
SMILESCc1cc(S(=O)(=O)N2CCC[C@@]3(CCNC3)C2)c2ncccc2c1
InChIInChI=1S/C18H23N3O2S/c1-14-10-15-4-2-7-20-17(15)16(11-14)24(22,23)21-9-3-5-18(13-21)6-8-19-12-18/h2,4,7,10-11,19H,3,5-6,8-9,12-13H2,1H3/t18-/m0/s1
InChIKeyXZCKPWBOUAHXPO-SFHVURJKSA-N
MW345.47 g/mol
LogP2.31
Rot. Bonds2

About (5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane

(5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane (PubChem CID 125436956) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane
PubChem CID125436956
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane
SMILESCc1cc(S(=O)(=O)N2CCC[C@@]3(CCNC3)C2)c2ncccc2c1
InChIInChI=1S/C18H23N3O2S/c1-14-10-15-4-2-7-20-17(15)16(11-14)24(22,23)21-9-3-5-18(13-21)6-8-19-12-18/h2,4,7,10-11,19H,3,5-6,8-9,12-13H2,1H3/t18-/m0/s1
InChIKeyXZCKPWBOUAHXPO-SFHVURJKSA-N
XLogP2.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane
CID 122556209
2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102850032
7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane
CID 56747043
2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102849967
3,5,5-trimethyl-1-(6-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 167786381
2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102850015
6-methylquinoline-8-sulfonyl fluoride
CID 165453594
5-[5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]sulfonyl]furan-2-yl]-1,2-oxazole
CID 95219253
2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102849983
2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
CID 82038202
8-piperidin-1-ylsulfonylquinoline
CID 768759
(3aR,7aR)-2-(6-methylquinolin-8-yl)sulfonyl-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154807422

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane (CID 125436956) is (5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane is Cc1cc(S(=O)(=O)N2CCC[C@@]3(CCNC3)C2)c2ncccc2c1.
What is the InChIKey of (5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane?
The InChIKey is XZCKPWBOUAHXPO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-10-15-4-2-7-20-17(15)16(11-14)24(22,23)21-9-3-5-18(13-21)6-8-19-12-18/h2,4,7,10-11,19H,3,5-6,8-9,12-13H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane?
(5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane has a molecular weight of 345.47 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 125436956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).