2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane

C21H26N2O2S — CID 3235455

IUPAC2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C21H26N2O2S/c1-26(24,25)23-14-12-21(13-15-23)16-22(17-21)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3
InChIKeyJPJOJIPNBUUWJQ-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.13
Rot. Bonds4

About 2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane

2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane (PubChem CID 3235455) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane
PubChem CID3235455
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C21H26N2O2S/c1-26(24,25)23-14-12-21(13-15-23)16-22(17-21)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3
InChIKeyJPJOJIPNBUUWJQ-UHFFFAOYSA-N
XLogP3.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Diphenylmethyl)azetidin-3-yl methanesulfonate
CID 2758716
1-(1-Benzyl-4-piperidinyl)-4-(methylsulfonyl)piperazine
CID 878477
(E)-1-benzyl-4-(styrylsulfonyl)piperazine
CID 882298
1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine
CID 16317268
1-Benzyl-4-(benzylsulfonyl)piperazine
CID 669283
7-(Benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane
CID 3232889
(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3233118
7-(Benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane
CID 3233414
2-Benzhydryl-9-methylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 3234963
2-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 3235061
2-Benzyl-9-methylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 3235309
1-[(3-Methylphenyl)methyl]-4-[(phenylmethyl)sulfonyl]piperazine
CID 8163021

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane (CID 3235455) is 2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane is CS(=O)(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of 2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is JPJOJIPNBUUWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-26(24,25)23-14-12-21(13-15-23)16-22(17-21)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3.
What are the key properties of 2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 370.52 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 3235455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).