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

C18H28N2O4S — CID 46195040

IUPAC8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H28N2O4S/c1-3-4-11-19-12-9-18(10-13-19)20(14-15-24-18)25(21,22)17-7-5-16(23-2)6-8-17/h5-8H,3-4,9-15H2,1-2H3
InChIKeyJXDYSMAVLUIUCA-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.31
Rot. Bonds6

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

8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 46195040) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID46195040
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H28N2O4S/c1-3-4-11-19-12-9-18(10-13-19)20(14-15-24-18)25(21,22)17-7-5-16(23-2)6-8-17/h5-8H,3-4,9-15H2,1-2H3
InChIKeyJXDYSMAVLUIUCA-UHFFFAOYSA-N
XLogP2.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 46195040) is 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CCCCN1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is JXDYSMAVLUIUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-3-4-11-19-12-9-18(10-13-19)20(14-15-24-18)25(21,22)17-7-5-16(23-2)6-8-17/h5-8H,3-4,9-15H2,1-2H3.
What are the key properties of 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 368.50 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 46195040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).