2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane

C19H22N2O4S2 — CID 44829122

IUPAC2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
SMILESCc1ccc(S(=O)(=O)N2CC3(C2)CN(S(=O)(=O)c2ccc(C)cc2)C3)cc1
InChIInChI=1S/C19H22N2O4S2/c1-15-3-7-17(8-4-15)26(22,23)20-11-19(12-20)13-21(14-19)27(24,25)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKeySSBYIOBPVGLYQB-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.00
Rot. Bonds4

About 2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane

2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane (PubChem CID 44829122) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
PubChem CID44829122
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC Name2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
SMILESCc1ccc(S(=O)(=O)N2CC3(C2)CN(S(=O)(=O)c2ccc(C)cc2)C3)cc1
InChIInChI=1S/C19H22N2O4S2/c1-15-3-7-17(8-4-15)26(22,23)20-11-19(12-20)13-21(14-19)27(24,25)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKeySSBYIOBPVGLYQB-UHFFFAOYSA-N
XLogP2.00
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane
CID 157437716
3,3-bis(bromomethyl)-1-(4-methylphenyl)sulfonylazetidine
CID 56776985
3,7-dibromo-3,7-bis(bromomethyl)-1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane
CID 10557090
(1R,5R,12S,16S)-3,14-bis-(4-methylphenyl)sulfonyl-3,14-diazaheptacyclo[14.6.2.25,12.01,5.06,11.012,16.017,22]hexacosa-6,8,10,17,19,21,23,25-octaene
CID 132511082
(1R,5S,12R,16S)-3,14-bis-(4-methylphenyl)sulfonyl-3,14-diazaheptacyclo[14.6.2.25,12.01,5.06,11.012,16.017,22]hexacosa-6,8,10,17,19,21,23,25-octaene
CID 132511083
2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718665
1,4,6,9-tetrakis-(4-methylphenyl)sulfonyl-1,4,6,9-tetraza-5-silaspiro[4.4]nonane
CID 100926262
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 102578903
(3Z,7Z)-1-(4-methylphenyl)sulfonyl-2,5,6,9-tetrahydroazonine
CID 101406646
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247

Frequently Asked Questions

What is the IUPAC name of 2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane (CID 44829122) is 2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane is Cc1ccc(S(=O)(=O)N2CC3(C2)CN(S(=O)(=O)c2ccc(C)cc2)C3)cc1.
What is the InChIKey of 2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane?
The InChIKey is SSBYIOBPVGLYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-15-3-7-17(8-4-15)26(22,23)20-11-19(12-20)13-21(14-19)27(24,25)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3.
What are the key properties of 2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane?
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane has a molecular weight of 406.53 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 44829122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).