4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine

C19H29NO4S — CID 146628302

IUPAC4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C3OCC(C)CO3)CC2)c(C)c1
InChIInChI=1S/C19H29NO4S/c1-13-9-15(3)18(16(4)10-13)25(21,22)20-7-5-17(6-8-20)19-23-11-14(2)12-24-19/h9-10,14,17,19H,5-8,11-12H2,1-4H3
InChIKeyMAAFPXSWASBZDX-UHFFFAOYSA-N
MW367.51 g/mol
LogP3.02
Rot. Bonds3

About 4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine

4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine (PubChem CID 146628302) has the molecular formula C19H29NO4S and a molecular weight of 367.51 g/mol. Its IUPAC name is 4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
PubChem CID146628302
Molecular FormulaC19H29NO4S
Molecular Weight367.51 g/mol
Exact Mass367.18
IUPAC Name4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C3OCC(C)CO3)CC2)c(C)c1
InChIInChI=1S/C19H29NO4S/c1-13-9-15(3)18(16(4)10-13)25(21,22)20-7-5-17(6-8-20)19-23-11-14(2)12-24-19/h9-10,14,17,19H,5-8,11-12H2,1-4H3
InChIKeyMAAFPXSWASBZDX-UHFFFAOYSA-N
XLogP3.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine with MolForge

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Related Compounds

8-(2,4-Dimethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467872
Methyl 1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxylate
CID 787506
Ethyl 1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxylate
CID 1068489
8-(Mesitylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2242111
N-(4,4-diethoxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 69662462
4-(5-Methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfanylpiperidine
CID 146666641
9-[4-(2-Methylbutan-2-yl)phenyl]sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3281590
9-(4-Pentylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3685513
9-((4-Ethylphenyl)sulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3734012
9-(4-Butylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3777515
8-[2,4,6-Tri(propan-2-yl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3808337
9-((4-Isopropylphenyl)sulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3853821

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine (CID 146628302) is 4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine is Cc1cc(C)c(S(=O)(=O)N2CCC(C3OCC(C)CO3)CC2)c(C)c1.
What is the InChIKey of 4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The InChIKey is MAAFPXSWASBZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4S/c1-13-9-15(3)18(16(4)10-13)25(21,22)20-7-5-17(6-8-20)19-23-11-14(2)12-24-19/h9-10,14,17,19H,5-8,11-12H2,1-4H3.
What are the key properties of 4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine has a molecular weight of 367.51 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 146628302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).