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

C19H29N7O3S — CID 170565799

IUPAC6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC2(CN(C(=O)N3CC4(CC(n5cnc(C6CC6)n5)C4)C3)C2)C1
InChIInChI=1S/C19H29N7O3S/c1-22(2)30(28,29)25-11-19(12-25)9-24(10-19)17(27)23-7-18(8-23)5-15(6-18)26-13-20-16(21-26)14-3-4-14/h13-15H,3-12H2,1-2H3
InChIKeyGTGWRBBJRXRIAZ-UHFFFAOYSA-N
MW435.55 g/mol
LogP0.34
Rot. Bonds4

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

6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide (PubChem CID 170565799) has the molecular formula C19H29N7O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide.

Molecular Properties

Compound Name6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide
PubChem CID170565799
Molecular FormulaC19H29N7O3S
Molecular Weight435.55 g/mol
Exact Mass435.21
IUPAC Name6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC2(CN(C(=O)N3CC4(CC(n5cnc(C6CC6)n5)C4)C3)C2)C1
InChIInChI=1S/C19H29N7O3S/c1-22(2)30(28,29)25-11-19(12-25)9-24(10-19)17(27)23-7-18(8-23)5-15(6-18)26-13-20-16(21-26)14-3-4-14/h13-15H,3-12H2,1-2H3
InChIKeyGTGWRBBJRXRIAZ-UHFFFAOYSA-N
XLogP0.34
TPSA94.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-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-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide?
The IUPAC name of 6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide (CID 170565799) is 6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide.
What is the SMILES notation for 6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide?
The canonical SMILES for 6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide is CN(C)S(=O)(=O)N1CC2(CN(C(=O)N3CC4(CC(n5cnc(C6CC6)n5)C4)C3)C2)C1.
What is the InChIKey of 6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide?
The InChIKey is GTGWRBBJRXRIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O3S/c1-22(2)30(28,29)25-11-19(12-25)9-24(10-19)17(27)23-7-18(8-23)5-15(6-18)26-13-20-16(21-26)14-3-4-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide?
6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide has a molecular weight of 435.55 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide is sourced from PubChem (CID 170565799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).