(3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine

C11H23N3O2S — CID 104975049

IUPAC(3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine
SMILESCC1CCCN(S(=O)(=O)N2CCN[C@H](C)C2)C1
InChIInChI=1S/C11H23N3O2S/c1-10-4-3-6-13(8-10)17(15,16)14-7-5-12-11(2)9-14/h10-12H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyPTAZUAQPDSBKKX-RRKGBCIJSA-N
MW261.39 g/mol
LogP0.26
Rot. Bonds2

About (3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine

(3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine (PubChem CID 104975049) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is (3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine
PubChem CID104975049
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name(3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine
SMILESCC1CCCN(S(=O)(=O)N2CCN[C@H](C)C2)C1
InChIInChI=1S/C11H23N3O2S/c1-10-4-3-6-13(8-10)17(15,16)14-7-5-12-11(2)9-14/h10-12H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyPTAZUAQPDSBKKX-RRKGBCIJSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 119961883
1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 115302221
ethyl 1-[(3R)-3-methylpiperazin-1-yl]sulfonylpiperidine-3-carboxylate
CID 104975088
(3R)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962874
(3R)-3-methylpiperazine-1-sulfonyl chloride
CID 167734783
(2R)-2-methyl-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazine
CID 124598606
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
1-[3-(bromomethyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 80673941
(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 94806388
2-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 119970141

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine?
The IUPAC name of (3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine (CID 104975049) is (3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine.
What is the SMILES notation for (3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine?
The canonical SMILES for (3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine is CC1CCCN(S(=O)(=O)N2CCN[C@H](C)C2)C1.
What is the InChIKey of (3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine?
The InChIKey is PTAZUAQPDSBKKX-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-10-4-3-6-13(8-10)17(15,16)14-7-5-12-11(2)9-14/h10-12H,3-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine?
(3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine has a molecular weight of 261.39 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine is sourced from PubChem (CID 104975049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).