6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

C17H24N2O4S — CID 146068335

IUPAC6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESCCS(=O)(=O)N1CCC(=O)N(Cc2ccccc2)C2(CCOC2)C1
InChIInChI=1S/C17H24N2O4S/c1-2-24(21,22)18-10-8-16(20)19(12-15-6-4-3-5-7-15)17(13-18)9-11-23-14-17/h3-7H,2,8-14H2,1H3
InChIKeyBRLYTEZCCBEPRU-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.23
Rot. Bonds4

About 6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (PubChem CID 146068335) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
PubChem CID146068335
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESCCS(=O)(=O)N1CCC(=O)N(Cc2ccccc2)C2(CCOC2)C1
InChIInChI=1S/C17H24N2O4S/c1-2-24(21,22)18-10-8-16(20)19(12-15-6-4-3-5-7-15)17(13-18)9-11-23-14-17/h3-7H,2,8-14H2,1H3
InChIKeyBRLYTEZCCBEPRU-UHFFFAOYSA-N
XLogP1.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066774
6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146070649
6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066809
6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146070657
6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068336
6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068341
10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066856
10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066890
6-(3-methoxypropyl)-10-methylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068017
2-benzyl-9-ethylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72929649
6-(cyclopropylmethyl)-7-oxo-N-(2-phenylethyl)-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146071110
(6S)-8-ethylsulfonyl-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374543

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The IUPAC name of 6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (CID 146068335) is 6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for 6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for 6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is CCS(=O)(=O)N1CCC(=O)N(Cc2ccccc2)C2(CCOC2)C1.
What is the InChIKey of 6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The InChIKey is BRLYTEZCCBEPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-2-24(21,22)18-10-8-16(20)19(12-15-6-4-3-5-7-15)17(13-18)9-11-23-14-17/h3-7H,2,8-14H2,1H3.
What are the key properties of 6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one has a molecular weight of 352.46 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 146068335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).