1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C15H24N4O4S — CID 91922168

IUPAC1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(S(=O)(=O)c1cnc[nH]1)CC2
InChIInChI=1S/C15H24N4O4S/c1-12(20)18-8-13(9-23-2)15(10-18)3-5-19(6-4-15)24(21,22)14-7-16-11-17-14/h7,11,13H,3-6,8-10H2,1-2H3,(H,16,17)
InChIKeyAIRNGSXDBRPRGT-UHFFFAOYSA-N
MW356.45 g/mol
LogP0.31
Rot. Bonds4

About 1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91922168) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID91922168
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(S(=O)(=O)c1cnc[nH]1)CC2
InChIInChI=1S/C15H24N4O4S/c1-12(20)18-8-13(9-23-2)15(10-18)3-5-19(6-4-15)24(21,22)14-7-16-11-17-14/h7,11,13H,3-6,8-10H2,1-2H3,(H,16,17)
InChIKeyAIRNGSXDBRPRGT-UHFFFAOYSA-N
XLogP0.31
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 91922168) is 1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is COCC1CN(C(C)=O)CC12CCN(S(=O)(=O)c1cnc[nH]1)CC2.
What is the InChIKey of 1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is AIRNGSXDBRPRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-12(20)18-8-13(9-23-2)15(10-18)3-5-19(6-4-15)24(21,22)14-7-16-11-17-14/h7,11,13H,3-6,8-10H2,1-2H3,(H,16,17).
What are the key properties of 1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 356.45 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91922168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).