(5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one

C13H15NO3S2 — CID 7541233

IUPAC(5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one
SMILESO=C1CS[C@@]2(CCS(=O)(=O)C2)N1Cc1ccccc1
InChIInChI=1S/C13H15NO3S2/c15-12-9-18-13(6-7-19(16,17)10-13)14(12)8-11-4-2-1-3-5-11/h1-5H,6-10H2/t13-/m1/s1
InChIKeyNFLZBELSPJFBGV-CYBMUJFWSA-N
MW297.40 g/mol
LogP1.28
Rot. Bonds2

About (5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one

(5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one (PubChem CID 7541233) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one
PubChem CID7541233
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC Name(5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one
SMILESO=C1CS[C@@]2(CCS(=O)(=O)C2)N1Cc1ccccc1
InChIInChI=1S/C13H15NO3S2/c15-12-9-18-13(6-7-19(16,17)10-13)14(12)8-11-4-2-1-3-5-11/h1-5H,6-10H2/t13-/m1/s1
InChIKeyNFLZBELSPJFBGV-CYBMUJFWSA-N
XLogP1.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one with MolForge

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Related Compounds

4-benzyl-7,7-dioxo-1,7λ6-dithia-4-azaspiro[4.4]nonan-3-one
CID 22694167
(2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid
CID 86338341
(4R)-4-(2-aminoethyl)-1-benzyl-4-methylazetidin-2-one;methane
CID 142384259
1-benzyl-2-methyl-5-oxopyrrolidine-2-carbonitrile
CID 117066612
8-(2-chloroacetyl)-4-(thiophen-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 175908520
N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113036
8-(furan-2-carbonyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112671
3-benzyl-2,2-dimethylimidazolidin-4-one
CID 57433089
1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol
CID 65145717
4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 46195333
3-(benzylamino)-1,1-dioxothiolane-3-carboxylic acid
CID 63165985
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070

Frequently Asked Questions

What is the IUPAC name of (5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one?
The IUPAC name of (5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one (CID 7541233) is (5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one?
The canonical SMILES for (5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one is O=C1CS[C@@]2(CCS(=O)(=O)C2)N1Cc1ccccc1.
What is the InChIKey of (5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one?
The InChIKey is NFLZBELSPJFBGV-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15NO3S2/c15-12-9-18-13(6-7-19(16,17)10-13)14(12)8-11-4-2-1-3-5-11/h1-5H,6-10H2/t13-/m1/s1.
What are the key properties of (5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one?
(5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one has a molecular weight of 297.40 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-benzyl-7,7-dioxo-1,7lambda6-dithia-4-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 7541233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).