8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C15H21NO4S — CID 3379058

IUPAC8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H21NO4S/c1-2-13-3-5-14(6-4-13)21(17,18)16-9-7-15(8-10-16)19-11-12-20-15/h3-6H,2,7-12H2,1H3
InChIKeyLMFADHYASDUHAH-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.78
Rot. Bonds3

About 8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 3379058) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID3379058
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H21NO4S/c1-2-13-3-5-14(6-4-13)21(17,18)16-9-7-15(8-10-16)19-11-12-20-15/h3-6H,2,7-12H2,1H3
InChIKeyLMFADHYASDUHAH-UHFFFAOYSA-N
XLogP1.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-butylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3777515
8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 90510709
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzoic acid
CID 23884260
3-[4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylsulfonyl)phenyl]propanoic acid
CID 154841848
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide
CID 43817694
7-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20949435
8-(4-ethylphenyl)sulfonyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029731
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 35398957
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896

Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 3379058) is 8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is CCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is LMFADHYASDUHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-2-13-3-5-14(6-4-13)21(17,18)16-9-7-15(8-10-16)19-11-12-20-15/h3-6H,2,7-12H2,1H3.
What are the key properties of 8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 311.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 3379058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).