10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

C17H24N2O4S — CID 146066774

IUPAC10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESCCCN1C(=O)CCN(S(=O)(=O)c2ccccc2)CC12CCOC2
InChIInChI=1S/C17H24N2O4S/c1-2-10-19-16(20)8-11-18(13-17(19)9-12-23-14-17)24(21,22)15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3
InChIKeyZEIHIFXOPAJPSD-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.48
Rot. Bonds4

About 10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (PubChem CID 146066774) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
PubChem CID146066774
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESCCCN1C(=O)CCN(S(=O)(=O)c2ccccc2)CC12CCOC2
InChIInChI=1S/C17H24N2O4S/c1-2-10-19-16(20)8-11-18(13-17(19)9-12-23-14-17)24(21,22)15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3
InChIKeyZEIHIFXOPAJPSD-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066890
6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068335
6-(3-methoxypropyl)-10-methylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068017
6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146070649
(6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789035
6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066809
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462
(4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 124814263
6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066813
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
CID 97399392
6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146070657

Frequently Asked Questions

What is the IUPAC name of 10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The IUPAC name of 10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (CID 146066774) is 10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for 10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for 10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is CCCN1C(=O)CCN(S(=O)(=O)c2ccccc2)CC12CCOC2.
What is the InChIKey of 10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The InChIKey is ZEIHIFXOPAJPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-2-10-19-16(20)8-11-18(13-17(19)9-12-23-14-17)24(21,22)15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3.
What are the key properties of 10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one has a molecular weight of 352.46 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 146066774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).