N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

C12H26ClN3O2S — CID 119977939

IUPACN-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)N2CCCC(C)C2)C1.Cl
InChIInChI=1S/C12H25N3O2S.ClH/c1-11-4-3-6-14(9-11)18(16,17)15-7-5-12(10-15)8-13-2;/h11-13H,3-10H2,1-2H3;1H
InChIKeyYAUKFCCVQXKJKQ-UHFFFAOYSA-N
MW311.88 g/mol
LogP0.93
Rot. Bonds4

About N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119977939) has the molecular formula C12H26ClN3O2S and a molecular weight of 311.88 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119977939
Molecular FormulaC12H26ClN3O2S
Molecular Weight311.88 g/mol
Exact Mass311.14
IUPAC NameN-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)N2CCCC(C)C2)C1.Cl
InChIInChI=1S/C12H25N3O2S.ClH/c1-11-4-3-6-14(9-11)18(16,17)15-7-5-12(10-15)8-13-2;/h11-13H,3-10H2,1-2H3;1H
InChIKeyYAUKFCCVQXKJKQ-UHFFFAOYSA-N
XLogP0.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977537
1-[3-(bromomethyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 80673941
(3R)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962874
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 115302221
2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide
CID 94192743
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
3-ethyl-N-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-amine
CID 114507257
N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977837
1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124778549
1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 119961883

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (CID 119977939) is N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is CNCC1CCN(S(=O)(=O)N2CCCC(C)C2)C1.Cl.
What is the InChIKey of N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is YAUKFCCVQXKJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S.ClH/c1-11-4-3-6-14(9-11)18(16,17)15-7-5-12(10-15)8-13-2;/h11-13H,3-10H2,1-2H3;1H.
What are the key properties of N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 311.88 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119977939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).