2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane

C19H28N2O2S — CID 157437716

IUPAC2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane
SMILESC1CC2(C1)CNC2.Cc1ccc(S(=O)(=O)N2CC3(CCC3)C2)cc1
InChIInChI=1S/C13H17NO2S.C6H11N/c1-11-3-5-12(6-4-11)17(15,16)14-9-13(10-14)7-2-8-13;1-2-6(3-1)4-7-5-6/h3-6H,2,7-10H2,1H3;7H,1-5H2
InChIKeyBRHMTFKCRDHODB-UHFFFAOYSA-N
MW348.51 g/mol
LogP2.93
Rot. Bonds2

About 2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane

2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane (PubChem CID 157437716) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane
PubChem CID157437716
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane
SMILESC1CC2(C1)CNC2.Cc1ccc(S(=O)(=O)N2CC3(CCC3)C2)cc1
InChIInChI=1S/C13H17NO2S.C6H11N/c1-11-3-5-12(6-4-11)17(15,16)14-9-13(10-14)7-2-8-13;1-2-6(3-1)4-7-5-6/h3-6H,2,7-10H2,1H3;7H,1-5H2
InChIKeyBRHMTFKCRDHODB-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
2-azaspiro[3.3]heptane;4-methylbenzenesulfonic acid
CID 175981563
2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718665
3,3-bis(bromomethyl)-1-(4-methylphenyl)sulfonylazetidine
CID 56776985
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
3,7-dibromo-3,7-bis(bromomethyl)-1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane
CID 10557090
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
(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
4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane
CID 15398609
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane?
The IUPAC name of 2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane (CID 157437716) is 2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane is C1CC2(C1)CNC2.Cc1ccc(S(=O)(=O)N2CC3(CCC3)C2)cc1.
What is the InChIKey of 2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane?
The InChIKey is BRHMTFKCRDHODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S.C6H11N/c1-11-3-5-12(6-4-11)17(15,16)14-9-13(10-14)7-2-8-13;1-2-6(3-1)4-7-5-6/h3-6H,2,7-10H2,1H3;7H,1-5H2.
What are the key properties of 2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane?
2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane has a molecular weight of 348.51 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.3]heptane;2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 157437716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).