4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C14H28N4O4S — CID 56896816

IUPAC4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCCN1CCN(S(=O)(=O)N2CCOC3(CNCCOC3)C2)CC1
InChIInChI=1S/C14H28N4O4S/c1-2-16-4-6-17(7-5-16)23(19,20)18-8-10-22-14(12-18)11-15-3-9-21-13-14/h15H,2-13H2,1H3
InChIKeyNOFBZYRHYGXECZ-UHFFFAOYSA-N
MW348.47 g/mol
LogP-1.44
Rot. Bonds3

About 4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 56896816) has the molecular formula C14H28N4O4S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID56896816
Molecular FormulaC14H28N4O4S
Molecular Weight348.47 g/mol
Exact Mass348.18
IUPAC Name4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCCN1CCN(S(=O)(=O)N2CCOC3(CNCCOC3)C2)CC1
InChIInChI=1S/C14H28N4O4S/c1-2-16-4-6-17(7-5-16)23(19,20)18-8-10-22-14(12-18)11-15-3-9-21-13-14/h15H,2-13H2,1H3
InChIKeyNOFBZYRHYGXECZ-UHFFFAOYSA-N
XLogP-1.44
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

(6S)-4-(1-ethylpyrazol-4-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95720503
8-ethyl-2,5-dioxa-8-azaspiro[3.5]nonane;1-ethyl-4-methylsulfonylpiperazine
CID 166542828
4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile
CID 95726512
1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one
CID 97494594
(6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95717928
N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide
CID 95718110
4-tert-butyl-2-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methyl]phenol
CID 95708185
2,5-dioxa-8-azaspiro[3.5]nonane;ethane
CID 142444795
(6R)-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95229546
4,9-diethyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 154672699
1-ethyl-4-methylpiperazine;morpholine
CID 145383471
7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 134951653

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 56896816) is 4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is CCN1CCN(S(=O)(=O)N2CCOC3(CNCCOC3)C2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is NOFBZYRHYGXECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O4S/c1-2-16-4-6-17(7-5-16)23(19,20)18-8-10-22-14(12-18)11-15-3-9-21-13-14/h15H,2-13H2,1H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 348.47 g/mol, XLogP of -1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 56896816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).