4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride

C11H24ClN3O2S — CID 120585482

IUPAC4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCC1CCN(S(=O)(=O)N2CC(C)C(N)C2)CC1.Cl
InChIInChI=1S/C11H23N3O2S.ClH/c1-9-3-5-13(6-4-9)17(15,16)14-7-10(2)11(12)8-14;/h9-11H,3-8,12H2,1-2H3;1H
InChIKeyGCQKJIDVFPEOMS-UHFFFAOYSA-N
MW297.85 g/mol
LogP0.66
Rot. Bonds2

About 4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride

4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 120585482) has the molecular formula C11H24ClN3O2S and a molecular weight of 297.85 g/mol. Its IUPAC name is 4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID120585482
Molecular FormulaC11H24ClN3O2S
Molecular Weight297.85 g/mol
Exact Mass297.13
IUPAC Name4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCC1CCN(S(=O)(=O)N2CC(C)C(N)C2)CC1.Cl
InChIInChI=1S/C11H23N3O2S.ClH/c1-9-3-5-13(6-4-9)17(15,16)14-7-10(2)11(12)8-14;/h9-11H,3-8,12H2,1-2H3;1H
InChIKeyGCQKJIDVFPEOMS-UHFFFAOYSA-N
XLogP0.66
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63765450
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CID 119984041
(3S)-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
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[4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
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1-(4-methylpiperidin-1-yl)sulfonylazocane
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3-methyl-1-methylsulfonylpiperidin-4-amine
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1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 5071683
(3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 122103899
ethyl 1-(3-amino-4-methylpyrrolidin-1-yl)sulfonylpiperidine-3-carboxylate
CID 103576447
4-(chloromethyl)-1-(3,4-dimethylpyrrolidin-1-yl)sulfonylpiperidine
CID 79183603
1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine
CID 97260419
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 47154847

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 120585482) is 4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride is CC1CCN(S(=O)(=O)N2CC(C)C(N)C2)CC1.Cl.
What is the InChIKey of 4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is GCQKJIDVFPEOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S.ClH/c1-9-3-5-13(6-4-9)17(15,16)14-7-10(2)11(12)8-14;/h9-11H,3-8,12H2,1-2H3;1H.
What are the key properties of 4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 297.85 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120585482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).