1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine

C11H23N3O2S — CID 28775925

IUPAC1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCNCC2)C1
InChIInChI=1S/C11H23N3O2S/c1-10-7-11(2)9-14(8-10)17(15,16)13-5-3-12-4-6-13/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyDJLFUQLTPUNABH-GHMZBOCLSA-N
MW261.39 g/mol
LogP0.11
Rot. Bonds2

About 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine

1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine (PubChem CID 28775925) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine
PubChem CID28775925
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCNCC2)C1
InChIInChI=1S/C11H23N3O2S/c1-10-7-11(2)9-14(8-10)17(15,16)13-5-3-12-4-6-13/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyDJLFUQLTPUNABH-GHMZBOCLSA-N
XLogP0.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
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1,2-dimethyl-4-piperazin-1-ylsulfonylpiperazine
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1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane
CID 98757499
3-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol
CID 114679039
1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane
CID 28746723
N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide
CID 64733123
[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol
CID 43589679
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CID 55558529

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine?
The IUPAC name of 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine (CID 28775925) is 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine.
What is the SMILES notation for 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine?
The canonical SMILES for 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine is C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCNCC2)C1.
What is the InChIKey of 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine?
The InChIKey is DJLFUQLTPUNABH-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-10-7-11(2)9-14(8-10)17(15,16)13-5-3-12-4-6-13/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine?
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine has a molecular weight of 261.39 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine is sourced from PubChem (CID 28775925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).