4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane

C18H28N2O4S — CID 91922100

IUPAC4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(S(=O)(=O)c1cccc(OC)c1)CC2
InChIInChI=1S/C18H28N2O4S/c1-19-12-15(13-23-2)18(14-19)7-9-20(10-8-18)25(21,22)17-6-4-5-16(11-17)24-3/h4-6,11,15H,7-10,12-14H2,1-3H3
InChIKeyHQZUKYNJVAAWLB-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.67
Rot. Bonds5

About 4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane

4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 91922100) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID91922100
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(S(=O)(=O)c1cccc(OC)c1)CC2
InChIInChI=1S/C18H28N2O4S/c1-19-12-15(13-23-2)18(14-19)7-9-20(10-8-18)25(21,22)17-6-4-5-16(11-17)24-3/h4-6,11,15H,7-10,12-14H2,1-3H3
InChIKeyHQZUKYNJVAAWLB-UHFFFAOYSA-N
XLogP1.67
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane (CID 91922100) is 4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane is COCC1CN(C)CC12CCN(S(=O)(=O)c1cccc(OC)c1)CC2.
What is the InChIKey of 4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is HQZUKYNJVAAWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-19-12-15(13-23-2)18(14-19)7-9-20(10-8-18)25(21,22)17-6-4-5-16(11-17)24-3/h4-6,11,15H,7-10,12-14H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane?
4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 368.50 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-8-(3-methoxyphenyl)sulfonyl-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).