5-[(2-cyclopropyl-2,8-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

C25H34N6O2S — CID 146848937

IUPAC5-[(2-cyclopropyl-2,8-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(CCN(C3CC3)C2)CC1
InChIInChI=1S/C25H34N6O2S/c32-34(33,31-13-10-25(11-14-31)9-12-30(16-25)19-7-8-19)24-27-23(28-29-24)26-22-20-5-1-3-17(20)15-18-4-2-6-21(18)22/h15,19H,1-14,16H2,(H2,26,27,28,29)
InChIKeySHXSMGZOUTVPBE-UHFFFAOYSA-N
MW482.65 g/mol
LogP3.16
Rot. Bonds5

About 5-[(2-cyclopropyl-2,8-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-[(2-cyclopropyl-2,8-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 146848937) has the molecular formula C25H34N6O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is 5-[(2-cyclopropyl-2,8-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-[(2-cyclopropyl-2,8-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 CID146848937
Molecular FormulaC25H34N6O2S
Molecular Weight482.65 g/mol
Exact Mass482.25
IUPAC Name5-[(2-cyclopropyl-2,8-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(CCN(C3CC3)C2)CC1
InChIInChI=1S/C25H34N6O2S/c32-34(33,31-13-10-25(11-14-31)9-12-30(16-25)19-7-8-19)24-27-23(28-29-24)26-22-20-5-1-3-17(20)15-18-4-2-6-21(18)22/h15,19H,1-14,16H2,(H2,26,27,28,29)
InChIKeySHXSMGZOUTVPBE-UHFFFAOYSA-N
XLogP3.16
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(2-cyclopropyl-2,8-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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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropyl-2,8-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-[(2-cyclopropyl-2,8-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 146848937) is 5-[(2-cyclopropyl-2,8-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-[(2-cyclopropyl-2,8-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-[(2-cyclopropyl-2,8-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(CCN(C3CC3)C2)CC1.
What is the InChIKey of 5-[(2-cyclopropyl-2,8-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 SHXSMGZOUTVPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2S/c32-34(33,31-13-10-25(11-14-31)9-12-30(16-25)19-7-8-19)24-27-23(28-29-24)26-22-20-5-1-3-17(20)15-18-4-2-6-21(18)22/h15,19H,1-14,16H2,(H2,26,27,28,29).
What are the key properties of 5-[(2-cyclopropyl-2,8-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-[(2-cyclopropyl-2,8-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 482.65 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropyl-2,8-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 146848937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).