N-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide

C12H25N3O2S — CID 62546301

IUPACN-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide
SMILESCN1CCCC(N(C)S(=O)(=O)C2CCNCC2)C1
InChIInChI=1S/C12H25N3O2S/c1-14-9-3-4-11(10-14)15(2)18(16,17)12-5-7-13-8-6-12/h11-13H,3-10H2,1-2H3
InChIKeySUHCIIWNWKDCEU-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.09
Rot. Bonds3

About N-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide

N-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide (PubChem CID 62546301) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide
PubChem CID62546301
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide
SMILESCN1CCCC(N(C)S(=O)(=O)C2CCNCC2)C1
InChIInChI=1S/C12H25N3O2S/c1-14-9-3-4-11(10-14)15(2)18(16,17)12-5-7-13-8-6-12/h11-13H,3-10H2,1-2H3
InChIKeySUHCIIWNWKDCEU-UHFFFAOYSA-N
XLogP0.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1-methylpiperidin-3-yl)piperazine-1-sulfonamide
CID 62547844
N-methyl-N-(1-methylpiperidin-3-yl)-2-piperidin-4-ylethanesulfonamide
CID 62546278
N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide
CID 64586876
N,1-dimethyl-N-(piperidin-4-ylmethyl)piperidin-3-amine
CID 62546416
2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid
CID 62546054
N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 64587065
N-(azetidin-3-yl)-N,1-dimethylpiperidin-3-amine
CID 62785558
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547305
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
CID 115118418
4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62546053
4-[methyl-(1-methylpiperidin-3-yl)amino]pyrrolidin-3-ol
CID 63704738
(E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide
CID 98526139

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide (CID 62546301) is N-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide is CN1CCCC(N(C)S(=O)(=O)C2CCNCC2)C1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide?
The InChIKey is SUHCIIWNWKDCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-14-9-3-4-11(10-14)15(2)18(16,17)12-5-7-13-8-6-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide?
N-methyl-N-(1-methylpiperidin-3-yl)piperidine-4-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.09, 3 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)piperidine-4-sulfonamide is sourced from PubChem (CID 62546301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).