3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide

C12H25N3O3S — CID 82744611

IUPAC3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)N1CCCC(CN)C1
InChIInChI=1S/C12H25N3O3S/c1-10-12(5-7-18-10)14(2)19(16,17)15-6-3-4-11(8-13)9-15/h10-12H,3-9,13H2,1-2H3
InChIKeyDOQGTNMKUCTJME-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.01
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide

3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide (PubChem CID 82744611) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide
PubChem CID82744611
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)N1CCCC(CN)C1
InChIInChI=1S/C12H25N3O3S/c1-10-12(5-7-18-10)14(2)19(16,17)15-6-3-4-11(8-13)9-15/h10-12H,3-9,13H2,1-2H3
InChIKeyDOQGTNMKUCTJME-UHFFFAOYSA-N
XLogP0.01
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride
CID 119971798
2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid
CID 62690776
(1-tert-butylsulfonylpiperidin-3-yl)methanamine
CID 63688999
3-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)piperidine-1-sulfonamide
CID 106092451
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119968867
2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol
CID 102636407
[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]methanamine;hydrochloride
CID 119968825
1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011185
[1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine
CID 71638340
N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 54951889
[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972063

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide (CID 82744611) is 3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide is CC1OCCC1N(C)S(=O)(=O)N1CCCC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide?
The InChIKey is DOQGTNMKUCTJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-10-12(5-7-18-10)14(2)19(16,17)15-6-3-4-11(8-13)9-15/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide?
3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide has a molecular weight of 291.42 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 82744611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).