1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one

C17H24N2O4S — CID 7295613

IUPAC1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
SMILESCCC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H24N2O4S/c1-3-16(20)18-10-8-17(9-11-18)19(12-13-23-17)24(21,22)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyHVTHRVSYGKXRLW-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.74
Rot. Bonds3

About 1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one

1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one (PubChem CID 7295613) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
PubChem CID7295613
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
SMILESCCC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H24N2O4S/c1-3-16(20)18-10-8-17(9-11-18)19(12-13-23-17)24(21,22)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyHVTHRVSYGKXRLW-UHFFFAOYSA-N
XLogP1.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[2-Isopropyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-2-morpholin-4-yl-ethanone
CID 654303
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CID 1287984
4-({4-[3-Oxo-3-(1-pyrrolidinyl)propyl]phenyl}sulfonyl)morpholine
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3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
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(E)-1-(2,6-dimethylpiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
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CID 6465848
4-(Mesitylsulfonyl)-8-(methylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384393
8-(Mesitylsulfonyl)-4-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The IUPAC name of 1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one (CID 7295613) is 1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one is CCC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The InChIKey is HVTHRVSYGKXRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-3-16(20)18-10-8-17(9-11-18)19(12-13-23-17)24(21,22)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one has a molecular weight of 352.46 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one is sourced from PubChem (CID 7295613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).