2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C17H26N2O3S — CID 91910497

IUPAC2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)Cc2ccccc2)CC12CCNCC2
InChIInChI=1S/C17H26N2O3S/c1-22-12-16-11-19(14-17(16)7-9-18-10-8-17)23(20,21)13-15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3
InChIKeyNUNLWWFGSQXOJZ-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.46
Rot. Bonds5

About 2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91910497) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91910497
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)Cc2ccccc2)CC12CCNCC2
InChIInChI=1S/C17H26N2O3S/c1-22-12-16-11-19(14-17(16)7-9-18-10-8-17)23(20,21)13-15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3
InChIKeyNUNLWWFGSQXOJZ-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluorobenzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91910498
2-(4-Fluoro-3-methylbenzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91910500
2-(3-Fluoro-4-methylbenzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91910503
2-(5-Fluoro-2-methylbenzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91910504
2-[(4-Fluorobenzyl)sulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91922032
2-[(3-Fluorobenzyl)sulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91922033
4-Fluorobenzyl [4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl] sulfone
CID 91922107
1-[8-[(4-Fluorobenzyl)sulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-ethanone
CID 91922170
2-(4-Ethylbenzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91910507
2,3-dihydro-1H-inden-5-yl [4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl] sulfone
CID 91910509
2-[(3,4-Dimethylphenyl)methanesulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91910510
3-{[4-(Methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]sulfonyl}benzonitrile
CID 91910513

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91910497) is 2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is COCC1CN(S(=O)(=O)Cc2ccccc2)CC12CCNCC2.
What is the InChIKey of 2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is NUNLWWFGSQXOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-22-12-16-11-19(14-17(16)7-9-18-10-8-17)23(20,21)13-15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3.
What are the key properties of 2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 338.47 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91910497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).