(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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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).