(5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C10H18N2O4S — CID 97384747

IUPAC(5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H]1NC(=O)COC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C10H18N2O4S/c1-8-10(16-7-9(13)11-8)3-5-12(6-4-10)17(2,14)15/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1
InChIKeyCAAHPGRTOFXPCD-QMMMGPOBSA-N
MW262.33 g/mol
LogP-0.68
Rot. Bonds1

About (5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97384747) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is (5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97384747
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name(5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H]1NC(=O)COC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C10H18N2O4S/c1-8-10(16-7-9(13)11-8)3-5-12(6-4-10)17(2,14)15/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1
InChIKeyCAAHPGRTOFXPCD-QMMMGPOBSA-N
XLogP-0.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97384747) is (5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C[C@@H]1NC(=O)COC12CCN(S(C)(=O)=O)CC2.
What is the InChIKey of (5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CAAHPGRTOFXPCD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-8-10(16-7-9(13)11-8)3-5-12(6-4-10)17(2,14)15/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1.
What are the key properties of (5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 262.33 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97384747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).