9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H26N2O4S — CID 72915450

IUPAC9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C18H26N2O4S/c1-24-14-13-19-15-18(8-7-17(19)21)9-11-20(12-10-18)25(22,23)16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyIJPAOYKVZYECRJ-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.73
Rot. Bonds5

About 9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72915450) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72915450
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C18H26N2O4S/c1-24-14-13-19-15-18(8-7-17(19)21)9-11-20(12-10-18)25(22,23)16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyIJPAOYKVZYECRJ-UHFFFAOYSA-N
XLogP1.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethyl)-9-(1-phenylcyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72889857
8-(benzenesulfonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70717072
2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70750468
2-benzyl-9-ethylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72929649
2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152362
2-(3-methoxypropyl)-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926962
2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70731379
2-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98894775
2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70733806
9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 3233376
2-(2-methoxyethyl)-9-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70727906
N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72863104

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72915450) is 9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(S(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of 9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is IJPAOYKVZYECRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-24-14-13-19-15-18(8-7-17(19)21)9-11-20(12-10-18)25(22,23)16-5-3-2-4-6-16/h2-6H,7-15H2,1H3.
What are the key properties of 9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.48 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72915450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).