2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one

C17H18N2O3S2 — CID 118739666

IUPAC2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCN(S(=O)(=O)c3cccs3)C2)CN1c1ccccc1
InChIInChI=1S/C17H18N2O3S2/c20-15-11-17(13-19(15)14-5-2-1-3-6-14)8-9-18(12-17)24(21,22)16-7-4-10-23-16/h1-7,10H,8-9,11-13H2
InChIKeyZLUWEBWSMOBKIN-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.57
Rot. Bonds3

About 2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one

2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 118739666) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID118739666
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCN(S(=O)(=O)c3cccs3)C2)CN1c1ccccc1
InChIInChI=1S/C17H18N2O3S2/c20-15-11-17(13-19(15)14-5-2-1-3-6-14)8-9-18(12-17)24(21,22)16-7-4-10-23-16/h1-7,10H,8-9,11-13H2
InChIKeyZLUWEBWSMOBKIN-UHFFFAOYSA-N
XLogP2.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Phenylpiperazin-1-yl)(1-(thiophen-2-ylsulfonyl)piperidin-4-yl)methanone
CID 1190372
N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2329041
1-(4-Phenylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 2451375
N-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 16822393
2-(3-Fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739246
N-phenyl-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 4589687
2-(3-Methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118738800
2-(3-Fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118738801
3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118739322
2-(2-Methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118739667
CID 134794860
CID 134794860
N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7635948

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one (CID 118739666) is 2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one is O=C1CC2(CCN(S(=O)(=O)c3cccs3)C2)CN1c1ccccc1.
What is the InChIKey of 2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is ZLUWEBWSMOBKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c20-15-11-17(13-19(15)14-5-2-1-3-6-14)8-9-18(12-17)24(21,22)16-7-4-10-23-16/h1-7,10H,8-9,11-13H2.
What are the key properties of 2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 362.48 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 118739666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).