N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide

C14H29N3O2S — CID 62546278

IUPACN-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide
SMILESCN1CCCC(N(C)S(=O)(=O)CCC2CCNCC2)C1
InChIInChI=1S/C14H29N3O2S/c1-16-10-3-4-14(12-16)17(2)20(18,19)11-7-13-5-8-15-9-6-13/h13-15H,3-12H2,1-2H3
InChIKeyOXORIWWUNTWGMF-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.73
Rot. Bonds5

About N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide

N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide (PubChem CID 62546278) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide
PubChem CID62546278
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide
SMILESCN1CCCC(N(C)S(=O)(=O)CCC2CCNCC2)C1
InChIInChI=1S/C14H29N3O2S/c1-16-10-3-4-14(12-16)17(2)20(18,19)11-7-13-5-8-15-9-6-13/h13-15H,3-12H2,1-2H3
InChIKeyOXORIWWUNTWGMF-UHFFFAOYSA-N
XLogP0.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide
CID 62546301
N-methyl-N-(1-methylpiperidin-3-yl)piperazine-1-sulfonamide
CID 62547844
2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid
CID 62546054
N,1-dimethyl-N-(piperidin-4-ylmethyl)piperidin-3-amine
CID 62546416
N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide
CID 64586876
N,N-dimethyl-1-(2-piperidin-4-ylethyl)piperidin-3-amine;dihydrochloride
CID 120663622
N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide
CID 60890770
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
CID 115118418
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 63701090
N-(2-hydroxypropyl)-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 55061183
N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
CID 79716652
N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 64587065

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide (CID 62546278) is N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide is CN1CCCC(N(C)S(=O)(=O)CCC2CCNCC2)C1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide?
The InChIKey is OXORIWWUNTWGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-16-10-3-4-14(12-16)17(2)20(18,19)11-7-13-5-8-15-9-6-13/h13-15H,3-12H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide?
N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide has a molecular weight of 303.47 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 62546278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).