(4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one

C8H14N2O3S — CID 134396434

IUPAC(4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one
SMILESCN1C[C@@]2(CCCN2S(C)(=O)=O)C1=O
InChIInChI=1S/C8H14N2O3S/c1-9-6-8(7(9)11)4-3-5-10(8)14(2,12)13/h3-6H2,1-2H3/t8-/m0/s1
InChIKeyUBQJCNQLJCUUAI-QMMMGPOBSA-N
MW218.28 g/mol
LogP-0.75
Rot. Bonds1

About (4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one

(4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one (PubChem CID 134396434) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is (4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name(4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one
PubChem CID134396434
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name(4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one
SMILESCN1C[C@@]2(CCCN2S(C)(=O)=O)C1=O
InChIInChI=1S/C8H14N2O3S/c1-9-6-8(7(9)11)4-3-5-10(8)14(2,12)13/h3-6H2,1-2H3/t8-/m0/s1
InChIKeyUBQJCNQLJCUUAI-QMMMGPOBSA-N
XLogP-0.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one?
The IUPAC name of (4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one (CID 134396434) is (4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one.
What is the SMILES notation for (4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one?
The canonical SMILES for (4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one is CN1C[C@@]2(CCCN2S(C)(=O)=O)C1=O.
What is the InChIKey of (4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one?
The InChIKey is UBQJCNQLJCUUAI-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-9-6-8(7(9)11)4-3-5-10(8)14(2,12)13/h3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one?
(4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one has a molecular weight of 218.28 g/mol, XLogP of -0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one is sourced from PubChem (CID 134396434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).