8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C17H26N2O3S — CID 59565052

IUPAC8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCCCc1ccc(S(=O)(=O)N2CCC3(CC2)NCCO3)cc1
InChIInChI=1S/C17H26N2O3S/c1-2-3-4-15-5-7-16(8-6-15)23(20,21)19-12-9-17(10-13-19)18-11-14-22-17/h5-8,18H,2-4,9-14H2,1H3
InChIKeyLIDUTJLMFRPGBF-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.13
Rot. Bonds5

About 8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 59565052) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID59565052
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCCCc1ccc(S(=O)(=O)N2CCC3(CC2)NCCO3)cc1
InChIInChI=1S/C17H26N2O3S/c1-2-3-4-15-5-7-16(8-6-15)23(20,21)19-12-9-17(10-13-19)18-11-14-22-17/h5-8,18H,2-4,9-14H2,1H3
InChIKeyLIDUTJLMFRPGBF-UHFFFAOYSA-N
XLogP2.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 59565052) is 8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CCCCc1ccc(S(=O)(=O)N2CCC3(CC2)NCCO3)cc1.
What is the InChIKey of 8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is LIDUTJLMFRPGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-2-3-4-15-5-7-16(8-6-15)23(20,21)19-12-9-17(10-13-19)18-11-14-22-17/h5-8,18H,2-4,9-14H2,1H3.
What are the key properties of 8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 338.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 59565052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).