2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane

C17H26N2O2S — CID 72928821

IUPAC2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
SMILESCN1CC(c2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C17H26N2O2S/c1-18-13-16(15-6-4-3-5-7-15)12-17(14-18)8-10-19(11-9-17)22(2,20)21/h3-7,16H,8-14H2,1-2H3
InChIKeyNRLBWNSJIVJOTB-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.15
Rot. Bonds2

About 2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane

2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane (PubChem CID 72928821) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
PubChem CID72928821
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
SMILESCN1CC(c2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C17H26N2O2S/c1-18-13-16(15-6-4-3-5-7-15)12-17(14-18)8-10-19(11-9-17)22(2,20)21/h3-7,16H,8-14H2,1-2H3
InChIKeyNRLBWNSJIVJOTB-UHFFFAOYSA-N
XLogP2.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97130354
(4R)-2-methyl-9-(1-methylimidazol-4-yl)sulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97455008
5-methyl-4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)sulfonyl]-1,2-oxazole
CID 72840168
1-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylsulfanylethanone
CID 72868702
[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97453778
(4R)-2-ethyl-4-phenyl-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 97444913
3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97157011
3-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 72941270
[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97446177
(1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97192769
2-(N-methylanilino)-1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97444814
4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide
CID 72933715

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane (CID 72928821) is 2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane is CN1CC(c2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane?
The InChIKey is NRLBWNSJIVJOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-18-13-16(15-6-4-3-5-7-15)12-17(14-18)8-10-19(11-9-17)22(2,20)21/h3-7,16H,8-14H2,1-2H3.
What are the key properties of 2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane?
2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane has a molecular weight of 322.47 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 72928821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).