6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide

C21H31N7O3S — CID 169104699

IUPAC6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide
SMILESCC1(NS(=O)(=O)N2CC3(CN(C(=O)N4CC5(CC(c6n[nH]c(C7CC7)n6)C5)C4)C3)C2)CC1
InChIInChI=1S/C21H31N7O3S/c1-19(4-5-19)25-32(30,31)28-12-21(13-28)10-27(11-21)18(29)26-8-20(9-26)6-15(7-20)17-22-16(23-24-17)14-2-3-14/h14-15,25H,2-13H2,1H3,(H,22,23,24)
InChIKeyYHNJEKVZJYQLPW-UHFFFAOYSA-N
MW461.59 g/mol
LogP0.99
Rot. Bonds5

About 6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide

6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide (PubChem CID 169104699) has the molecular formula C21H31N7O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide.

Molecular Properties

Compound Name6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide
PubChem CID169104699
Molecular FormulaC21H31N7O3S
Molecular Weight461.59 g/mol
Exact Mass461.22
IUPAC Name6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide
SMILESCC1(NS(=O)(=O)N2CC3(CN(C(=O)N4CC5(CC(c6n[nH]c(C7CC7)n6)C5)C4)C3)C2)CC1
InChIInChI=1S/C21H31N7O3S/c1-19(4-5-19)25-32(30,31)28-12-21(13-28)10-27(11-21)18(29)26-8-20(9-26)6-15(7-20)17-22-16(23-24-17)14-2-3-14/h14-15,25H,2-13H2,1H3,(H,22,23,24)
InChIKeyYHNJEKVZJYQLPW-UHFFFAOYSA-N
XLogP0.99
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide?
The IUPAC name of 6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide (CID 169104699) is 6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide.
What is the SMILES notation for 6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide?
The canonical SMILES for 6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide is CC1(NS(=O)(=O)N2CC3(CN(C(=O)N4CC5(CC(c6n[nH]c(C7CC7)n6)C5)C4)C3)C2)CC1.
What is the InChIKey of 6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide?
The InChIKey is YHNJEKVZJYQLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O3S/c1-19(4-5-19)25-32(30,31)28-12-21(13-28)10-27(11-21)18(29)26-8-20(9-26)6-15(7-20)17-22-16(23-24-17)14-2-3-14/h14-15,25H,2-13H2,1H3,(H,22,23,24).
What are the key properties of 6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide?
6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide has a molecular weight of 461.59 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-(1-methylcyclopropyl)-2,6-diazaspiro[3.3]heptane-2-sulfonamide is sourced from PubChem (CID 169104699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).