8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine

C15H31N3O4S — CID 166542828

IUPAC8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine
SMILESCCN1CCN(S(C)(=O)=O)CC1.CCN1CCOC2(COC2)C1
InChIInChI=1S/C8H15NO2.C7H16N2O2S/c1-2-9-3-4-11-8(5-9)6-10-7-8;1-3-8-4-6-9(7-5-8)12(2,10)11/h2-7H2,1H3;3-7H2,1-2H3
InChIKeyPFQVFANOELLEED-UHFFFAOYSA-N
MW349.50 g/mol
LogP-0.31
Rot. Bonds3

About 8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine

8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine (PubChem CID 166542828) has the molecular formula C15H31N3O4S and a molecular weight of 349.50 g/mol. Its IUPAC name is 8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine
PubChem CID166542828
Molecular FormulaC15H31N3O4S
Molecular Weight349.50 g/mol
Exact Mass349.20
IUPAC Name8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine
SMILESCCN1CCN(S(C)(=O)=O)CC1.CCN1CCOC2(COC2)C1
InChIInChI=1S/C8H15NO2.C7H16N2O2S/c1-2-9-3-4-11-8(5-9)6-10-7-8;1-3-8-4-6-9(7-5-8)12(2,10)11/h2-7H2,1H3;3-7H2,1-2H3
InChIKeyPFQVFANOELLEED-UHFFFAOYSA-N
XLogP-0.31
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine with MolForge

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Related Compounds

4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 56896816
4,9-diethyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 154672699
4-(cyclohexylmethyl)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155875510
N,N-dimethyl-2-[(6S)-4-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide
CID 97398407
(6S)-8-methylsulfonyl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373129
4-[(5-methylfuran-2-yl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118743620
(6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373139
ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 171845223
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 63005068
7-ethyl-1-oxa-7-azaspiro[3.4]octane
CID 121247158
(6R)-8-methylsulfonyl-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373142
(6R)-4-methylsulfonyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97495133

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine?
The IUPAC name of 8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine (CID 166542828) is 8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine.
What is the SMILES notation for 8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine?
The canonical SMILES for 8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine is CCN1CCN(S(C)(=O)=O)CC1.CCN1CCOC2(COC2)C1.
What is the InChIKey of 8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine?
The InChIKey is PFQVFANOELLEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C7H16N2O2S/c1-2-9-3-4-11-8(5-9)6-10-7-8;1-3-8-4-6-9(7-5-8)12(2,10)11/h2-7H2,1H3;3-7H2,1-2H3.
What are the key properties of 8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine?
8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine has a molecular weight of 349.50 g/mol, XLogP of -0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 166542828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).