5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine

C24H33FN6O2S — CID 151535635

IUPAC5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine
SMILESO=S(=O)(c1nc(Nc2c3c(cc4c2CCC4)CCC3)n[nH]1)N1CCC2(CCCN2CCF)CC1
InChIInChI=1S/C24H33FN6O2S/c25-11-15-30-12-3-8-24(30)9-13-31(14-10-24)34(32,33)23-27-22(28-29-23)26-21-19-6-1-4-17(19)16-18-5-2-7-20(18)21/h16H,1-15H2,(H2,26,27,28,29)
InChIKeyPXKHISFJMWIWMU-UHFFFAOYSA-N
MW488.63 g/mol
LogP3.11
Rot. Bonds6

About 5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine

5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 151535635) has the molecular formula C24H33FN6O2S and a molecular weight of 488.63 g/mol. Its IUPAC name is 5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine
PubChem CID151535635
Molecular FormulaC24H33FN6O2S
Molecular Weight488.63 g/mol
Exact Mass488.24
IUPAC Name5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine
SMILESO=S(=O)(c1nc(Nc2c3c(cc4c2CCC4)CCC3)n[nH]1)N1CCC2(CCCN2CCF)CC1
InChIInChI=1S/C24H33FN6O2S/c25-11-15-30-12-3-8-24(30)9-13-31(14-10-24)34(32,33)23-27-22(28-29-23)26-21-19-6-1-4-17(19)16-18-5-2-7-20(18)21/h16H,1-15H2,(H2,26,27,28,29)
InChIKeyPXKHISFJMWIWMU-UHFFFAOYSA-N
XLogP3.11
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine with MolForge

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Related Compounds

5-[3-(diethylamino)propylsulfonyl]-N-(7-fluoro-5-phenyl-2,3-dihydro-1H-inden-4-yl)-1H-1,2,4-triazol-3-amine
CID 149571134
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-[[1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-1,2,4-triazol-3-amine
CID 150381847
1-[[3-[4-fluoro-2,6-di(propan-2-yl)anilino]-1H-1,2,4-triazol-5-yl]sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 151287937
5-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonyl-N-[4-fluoro-2,6-di(propan-2-yl)phenyl]-1H-1,2,4-triazol-3-amine
CID 151437174
N-[4-fluoro-2,6-di(propan-2-yl)phenyl]-5-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)sulfonyl]-1H-1,2,4-triazol-3-amine
CID 151686573
1-[[3-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1H-1,2,4-triazol-5-yl]sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 152259293
5-(4,4-difluoropiperidin-1-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine
CID 152261377
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-[[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.4]octan-2-yl]sulfonyl]-1H-1,2,4-triazol-3-amine
CID 152572064
5-[[7-(2-fluoroethyl)-2,7-diazaspiro[3.4]octan-2-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine
CID 153356776
3-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfanyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-5-amine
CID 153356892
3-[[7-(2-fluoroethyl)-2,7-diazaspiro[3.4]octan-2-yl]sulfanyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-5-amine
CID 153356931
[5-(1,2,3,5,6,7-Hexahydro-s-indacen-4-ylamino)-3-[(1-methylpyrrolidin-3-yl)sulfamoyl]-1,2,4-triazol-1-yl] thiohypofluorite
CID 153357066

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine (CID 151535635) is 5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine is O=S(=O)(c1nc(Nc2c3c(cc4c2CCC4)CCC3)n[nH]1)N1CCC2(CCCN2CCF)CC1.
What is the InChIKey of 5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is PXKHISFJMWIWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN6O2S/c25-11-15-30-12-3-8-24(30)9-13-31(14-10-24)34(32,33)23-27-22(28-29-23)26-21-19-6-1-4-17(19)16-18-5-2-7-20(18)21/h16H,1-15H2,(H2,26,27,28,29).
What are the key properties of 5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine?
5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 488.63 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 151535635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).