(3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone

C22H34N2O3S — CID 17461884

IUPAC(3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)c1C
InChIInChI=1S/C22H34N2O3S/c1-15-7-6-10-23(14-15)22(25)20-8-11-24(12-9-20)28(26,27)21-18(4)16(2)13-17(3)19(21)5/h13,15,20H,6-12,14H2,1-5H3
InChIKeyUSJOWWXTLMMOQM-UHFFFAOYSA-N
MW406.59 g/mol
LogP3.58
Rot. Bonds3

About (3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone

(3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 17461884) has the molecular formula C22H34N2O3S and a molecular weight of 406.59 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID17461884
Molecular FormulaC22H34N2O3S
Molecular Weight406.59 g/mol
Exact Mass406.23
IUPAC Name(3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)c1C
InChIInChI=1S/C22H34N2O3S/c1-15-7-6-10-23(14-15)22(25)20-8-11-24(12-9-20)28(26,27)21-18(4)16(2)13-17(3)19(21)5/h13,15,20H,6-12,14H2,1-5H3
InChIKeyUSJOWWXTLMMOQM-UHFFFAOYSA-N
XLogP3.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.59
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone (CID 17461884) is (3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)c1C.
What is the InChIKey of (3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is USJOWWXTLMMOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3S/c1-15-7-6-10-23(14-15)22(25)20-8-11-24(12-9-20)28(26,27)21-18(4)16(2)13-17(3)19(21)5/h13,15,20H,6-12,14H2,1-5H3.
What are the key properties of (3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
(3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 406.59 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 17461884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).