[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone

C20H28N6O5S2 — CID 170565832

IUPAC[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone
SMILESO=C(N1CC2(CC(n3cnc(C4CC4)n3)C2)C1)N1CC2(C1)CN(S(=O)(=O)C1CS(=O)(=O)C1)C2
InChIInChI=1S/C20H28N6O5S2/c27-18(23-7-19(8-23)3-15(4-19)26-13-21-17(22-26)14-1-2-14)24-9-20(10-24)11-25(12-20)33(30,31)16-5-32(28,29)6-16/h13-16H,1-12H2
InChIKeyMODRFBFGEMHZAE-UHFFFAOYSA-N
MW496.62 g/mol
LogP-0.34
Rot. Bonds4

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone (PubChem CID 170565832) has the molecular formula C20H28N6O5S2 and a molecular weight of 496.62 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone.

Molecular Properties

Compound Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone
PubChem CID170565832
Molecular FormulaC20H28N6O5S2
Molecular Weight496.62 g/mol
Exact Mass496.16
IUPAC Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone
SMILESO=C(N1CC2(CC(n3cnc(C4CC4)n3)C2)C1)N1CC2(C1)CN(S(=O)(=O)C1CS(=O)(=O)C1)C2
InChIInChI=1S/C20H28N6O5S2/c27-18(23-7-19(8-23)3-15(4-19)26-13-21-17(22-26)14-1-2-14)24-9-20(10-24)11-25(12-20)33(30,31)16-5-32(28,29)6-16/h13-16H,1-12H2
InChIKeyMODRFBFGEMHZAE-UHFFFAOYSA-N
XLogP-0.34
TPSA125.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone (CID 170565832) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone.
What is the SMILES notation for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone is O=C(N1CC2(CC(n3cnc(C4CC4)n3)C2)C1)N1CC2(C1)CN(S(=O)(=O)C1CS(=O)(=O)C1)C2.
What is the InChIKey of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
The InChIKey is MODRFBFGEMHZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O5S2/c27-18(23-7-19(8-23)3-15(4-19)26-13-21-17(22-26)14-1-2-14)24-9-20(10-24)11-25(12-20)33(30,31)16-5-32(28,29)6-16/h13-16H,1-12H2.
What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone has a molecular weight of 496.62 g/mol, XLogP of -0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone is sourced from PubChem (CID 170565832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).