2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one

C17H17FN2O3S2 — CID 118738801

IUPAC2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCN(S(=O)(=O)c3cccs3)C2)CN1c1cccc(F)c1
InChIInChI=1S/C17H17FN2O3S2/c18-13-3-1-4-14(9-13)20-12-17(10-15(20)21)6-7-19(11-17)25(22,23)16-5-2-8-24-16/h1-5,8-9H,6-7,10-12H2
InChIKeyFVRHMWQXACMKSI-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.70
Rot. Bonds3

About 2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one

2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 118738801) has the molecular formula C17H17FN2O3S2 and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID118738801
Molecular FormulaC17H17FN2O3S2
Molecular Weight380.47 g/mol
Exact Mass380.07
IUPAC Name2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCN(S(=O)(=O)c3cccs3)C2)CN1c1cccc(F)c1
InChIInChI=1S/C17H17FN2O3S2/c18-13-3-1-4-14(9-13)20-12-17(10-15(20)21)6-7-19(11-17)25(22,23)16-5-2-8-24-16/h1-5,8-9H,6-7,10-12H2
InChIKeyFVRHMWQXACMKSI-UHFFFAOYSA-N
XLogP2.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053794
1-[4-(4-Fluorophenyl)-1-piperazinyl]-2-[5-(1-pyrrolidinylsulfonyl)-2-thienyl]ethanone
CID 2432693
N-(3,4-difluorophenyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2506798
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 16805981
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 16822439
1-(2-Fluorophenyl)-4-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]piperazine
CID 2440602
[4-(2-Fluorophenyl)piperazino][1-(2-thienylsulfonyl)-3-piperidyl]methanone
CID 15989416
N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2329041
2-(3-Fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739246
N-(2-fluorophenyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 7398862
2-(3-Methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118738800
2-Phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118739666

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one (CID 118738801) is 2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one is O=C1CC2(CCN(S(=O)(=O)c3cccs3)C2)CN1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is FVRHMWQXACMKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S2/c18-13-3-1-4-14(9-13)20-12-17(10-15(20)21)6-7-19(11-17)25(22,23)16-5-2-8-24-16/h1-5,8-9H,6-7,10-12H2.
What are the key properties of 2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 380.47 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 118738801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).