furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone

C21H21N3O4S2 — CID 3958956

IUPACfuran-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
SMILESO=C(c1ccco1)N1CCSC12CCN(S(=O)(=O)c1cccc3cccnc13)CC2
InChIInChI=1S/C21H21N3O4S2/c25-20(17-6-3-14-28-17)24-13-15-29-21(24)8-11-23(12-9-21)30(26,27)18-7-1-4-16-5-2-10-22-19(16)18/h1-7,10,14H,8-9,11-13,15H2
InChIKeyLHIOHOWTAPDBFZ-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.20
Rot. Bonds3

About furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone

furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone (PubChem CID 3958956) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
PubChem CID3958956
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC Namefuran-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
SMILESO=C(c1ccco1)N1CCSC12CCN(S(=O)(=O)c1cccc3cccnc13)CC2
InChIInChI=1S/C21H21N3O4S2/c25-20(17-6-3-14-28-17)24-13-15-29-21(24)8-11-23(12-9-21)30(26,27)18-7-1-4-16-5-2-10-22-19(16)18/h1-7,10,14H,8-9,11-13,15H2
InChIKeyLHIOHOWTAPDBFZ-UHFFFAOYSA-N
XLogP3.20
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-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

Related Compounds

8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 22772866
8-piperidin-1-ylsulfonylquinoline
CID 768759
[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 5126806
8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline
CID 18338372
4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 46198949
8-[4-[4-(furan-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfonylquinoline
CID 11596960
1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone
CID 5222255
1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3,5,5-trimethylhexan-1-one
CID 4021612
2-ethyl-1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]hexan-1-one
CID 4320559
N-(4-ethylphenyl)-4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 4000989
[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 3264511

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone?
The IUPAC name of furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone (CID 3958956) is furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone.
What is the SMILES notation for furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone?
The canonical SMILES for furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone is O=C(c1ccco1)N1CCSC12CCN(S(=O)(=O)c1cccc3cccnc13)CC2.
What is the InChIKey of furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone?
The InChIKey is LHIOHOWTAPDBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c25-20(17-6-3-14-28-17)24-13-15-29-21(24)8-11-23(12-9-21)30(26,27)18-7-1-4-16-5-2-10-22-19(16)18/h1-7,10,14H,8-9,11-13,15H2.
What are the key properties of furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone?
furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone has a molecular weight of 443.55 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(8-quinolin-8-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone is sourced from PubChem (CID 3958956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).