10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

C20H30N2O5S — CID 146066890

IUPAC10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESCCc1ccc(S(=O)(=O)N2CCC(=O)N(CCCOC)C3(CCOC3)C2)cc1
InChIInChI=1S/C20H30N2O5S/c1-3-17-5-7-18(8-6-17)28(24,25)21-12-9-19(23)22(11-4-13-26-2)20(15-21)10-14-27-16-20/h5-8H,3-4,9-16H2,1-2H3
InChIKeyOEWPUSOHHQTCDA-UHFFFAOYSA-N
MW410.54 g/mol
LogP1.67
Rot. Bonds7

About 10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (PubChem CID 146066890) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is 10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
PubChem CID146066890
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Name10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESCCc1ccc(S(=O)(=O)N2CCC(=O)N(CCCOC)C3(CCOC3)C2)cc1
InChIInChI=1S/C20H30N2O5S/c1-3-17-5-7-18(8-6-17)28(24,25)21-12-9-19(23)22(11-4-13-26-2)20(15-21)10-14-27-16-20/h5-8H,3-4,9-16H2,1-2H3
InChIKeyOEWPUSOHHQTCDA-UHFFFAOYSA-N
XLogP1.67
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-methoxypropyl)-10-methylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068017
10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066774
6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066813
6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068335
10-(6-methoxy-1H-indole-2-carbonyl)-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066846
8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3379058
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
3-methoxypropyl 4-ethylbenzenesulfonate
CID 139894241
N-(2-methoxyethyl)-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]benzamide
CID 70768216
(6R)-8-(4-methoxyphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495408
8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 90510709
5-(4-ethylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211625

Frequently Asked Questions

What is the IUPAC name of 10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The IUPAC name of 10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (CID 146066890) is 10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for 10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for 10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is CCc1ccc(S(=O)(=O)N2CCC(=O)N(CCCOC)C3(CCOC3)C2)cc1.
What is the InChIKey of 10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The InChIKey is OEWPUSOHHQTCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-3-17-5-7-18(8-6-17)28(24,25)21-12-9-19(23)22(11-4-13-26-2)20(15-21)10-14-27-16-20/h5-8H,3-4,9-16H2,1-2H3.
What are the key properties of 10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one has a molecular weight of 410.54 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-ethylphenyl)sulfonyl-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 146066890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).