1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine

C16H33N5O4S2 — CID 55621429

IUPAC1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine
SMILESCC1CC(C)CN(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1
InChIInChI=1S/C16H33N5O4S2/c1-15-12-16(2)14-21(13-15)27(24,25)20-10-8-19(9-11-20)26(22,23)18-6-4-17(3)5-7-18/h15-16H,4-14H2,1-3H3
InChIKeyXHAUFGMLLRWFPM-UHFFFAOYSA-N
MW423.61 g/mol
LogP-0.68
Rot. Bonds4

About 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine

1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine (PubChem CID 55621429) has the molecular formula C16H33N5O4S2 and a molecular weight of 423.61 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine
PubChem CID55621429
Molecular FormulaC16H33N5O4S2
Molecular Weight423.61 g/mol
Exact Mass423.20
IUPAC Name1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine
SMILESCC1CC(C)CN(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1
InChIInChI=1S/C16H33N5O4S2/c1-15-12-16(2)14-21(13-15)27(24,25)20-10-8-19(9-11-20)26(22,23)18-6-4-17(3)5-7-18/h15-16H,4-14H2,1-3H3
InChIKeyXHAUFGMLLRWFPM-UHFFFAOYSA-N
XLogP-0.68
TPSA84.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine
CID 97260419
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine
CID 28775925
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane
CID 98757499
1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55558529
3,5-dimethylpiperidine-1-sulfonamide
CID 43132027
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984041
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 25472325
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 25472328
[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol
CID 43589679
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(4-nitrophenyl)sulfonylpiperazine
CID 39977653
(3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine
CID 39977519

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine?
The IUPAC name of 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine (CID 55621429) is 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine is CC1CC(C)CN(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1.
What is the InChIKey of 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine?
The InChIKey is XHAUFGMLLRWFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O4S2/c1-15-12-16(2)14-21(13-15)27(24,25)20-10-8-19(9-11-20)26(22,23)18-6-4-17(3)5-7-18/h15-16H,4-14H2,1-3H3.
What are the key properties of 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine?
1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine has a molecular weight of 423.61 g/mol, XLogP of -0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine is sourced from PubChem (CID 55621429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).