1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine

C18H29N3O4S2 — CID 6499792

IUPAC1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)cc1C
InChIInChI=1S/C18H29N3O4S2/c1-15-6-8-20(9-7-15)27(24,25)21-12-10-19(11-13-21)26(22,23)18-5-4-16(2)17(3)14-18/h4-5,14-15H,6-13H2,1-3H3
InChIKeyLGGYKIRYTPINNV-UHFFFAOYSA-N
MW415.58 g/mol
LogP1.59
Rot. Bonds4

About 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine

1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine (PubChem CID 6499792) has the molecular formula C18H29N3O4S2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
PubChem CID6499792
Molecular FormulaC18H29N3O4S2
Molecular Weight415.58 g/mol
Exact Mass415.16
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)cc1C
InChIInChI=1S/C18H29N3O4S2/c1-15-6-8-20(9-7-15)27(24,25)21-12-10-19(11-13-21)26(22,23)18-5-4-16(2)17(3)14-18/h4-5,14-15H,6-13H2,1-3H3
InChIKeyLGGYKIRYTPINNV-UHFFFAOYSA-N
XLogP1.59
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
CID 1087770
4-bromo-1-(3,4-dimethylphenyl)sulfonylpiperidine
CID 80673573
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
CID 82305650
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953
1-(3,4-dimethylphenyl)sulfonyl-4-isocyanatopiperidine
CID 28941465
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
CID 113083123
1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine
CID 60819969

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine (CID 6499792) is 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine?
The InChIKey is LGGYKIRYTPINNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S2/c1-15-6-8-20(9-7-15)27(24,25)21-12-10-19(11-13-21)26(22,23)18-5-4-16(2)17(3)14-18/h4-5,14-15H,6-13H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine?
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine has a molecular weight of 415.58 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine is sourced from PubChem (CID 6499792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).