2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide

C20H26N4O2S2 — CID 176917904

IUPAC2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide
SMILESCC1(NS(=O)(=O)c2cc(N3CCC4(CC3)CSC4)c3ccc(N)nc3c2)CC1
InChIInChI=1S/C20H26N4O2S2/c1-19(4-5-19)23-28(25,26)14-10-16-15(2-3-18(21)22-16)17(11-14)24-8-6-20(7-9-24)12-27-13-20/h2-3,10-11,23H,4-9,12-13H2,1H3,(H2,21,22)
InChIKeyFTOJVCSGIZMXEN-UHFFFAOYSA-N
MW418.59 g/mol
LogP2.98
Rot. Bonds4

About 2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide

2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide (PubChem CID 176917904) has the molecular formula C20H26N4O2S2 and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide
PubChem CID176917904
Molecular FormulaC20H26N4O2S2
Molecular Weight418.59 g/mol
Exact Mass418.15
IUPAC Name2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide
SMILESCC1(NS(=O)(=O)c2cc(N3CCC4(CC3)CSC4)c3ccc(N)nc3c2)CC1
InChIInChI=1S/C20H26N4O2S2/c1-19(4-5-19)23-28(25,26)14-10-16-15(2-3-18(21)22-16)17(11-14)24-8-6-20(7-9-24)12-27-13-20/h2-3,10-11,23H,4-9,12-13H2,1H3,(H2,21,22)
InChIKeyFTOJVCSGIZMXEN-UHFFFAOYSA-N
XLogP2.98
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide 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 2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide?
The IUPAC name of 2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide (CID 176917904) is 2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide.
What is the SMILES notation for 2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide?
The canonical SMILES for 2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide is CC1(NS(=O)(=O)c2cc(N3CCC4(CC3)CSC4)c3ccc(N)nc3c2)CC1.
What is the InChIKey of 2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide?
The InChIKey is FTOJVCSGIZMXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S2/c1-19(4-5-19)23-28(25,26)14-10-16-15(2-3-18(21)22-16)17(11-14)24-8-6-20(7-9-24)12-27-13-20/h2-3,10-11,23H,4-9,12-13H2,1H3,(H2,21,22).
What are the key properties of 2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide?
2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide has a molecular weight of 418.59 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methylcyclopropyl)-5-(2-thia-7-azaspiro[3.5]nonan-7-yl)quinoline-7-sulfonamide is sourced from PubChem (CID 176917904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).