1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C16H26N4O4S — CID 91922164

IUPAC1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(S(=O)(=O)c1cn(C)cn1)CC2
InChIInChI=1S/C16H26N4O4S/c1-13(21)19-8-14(10-24-3)16(11-19)4-6-20(7-5-16)25(22,23)15-9-18(2)12-17-15/h9,12,14H,4-8,10-11H2,1-3H3
InChIKeySKBQFBMWPXPLPJ-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.32
Rot. Bonds4

About 1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91922164) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID91922164
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(S(=O)(=O)c1cn(C)cn1)CC2
InChIInChI=1S/C16H26N4O4S/c1-13(21)19-8-14(10-24-3)16(11-19)4-6-20(7-5-16)25(22,23)15-9-18(2)12-17-15/h9,12,14H,4-8,10-11H2,1-3H3
InChIKeySKBQFBMWPXPLPJ-UHFFFAOYSA-N
XLogP0.32
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 91922164) is 1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone is COCC1CN(C(C)=O)CC12CCN(S(=O)(=O)c1cn(C)cn1)CC2.
What is the InChIKey of 1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is SKBQFBMWPXPLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-13(21)19-8-14(10-24-3)16(11-19)4-6-20(7-5-16)25(22,23)15-9-18(2)12-17-15/h9,12,14H,4-8,10-11H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 370.48 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-8-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91922164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).