3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide

C14H24N4O2S — CID 106022034

IUPAC3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NC(C)c2ccncc2)C1
InChIInChI=1S/C14H24N4O2S/c1-12(14-5-7-16-8-6-14)17-21(19,20)18-9-3-4-13(11-18)10-15-2/h5-8,12-13,15,17H,3-4,9-11H2,1-2H3
InChIKeyNOMHFEXSYIKQFE-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.91
Rot. Bonds6

About 3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide

3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide (PubChem CID 106022034) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
PubChem CID106022034
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NC(C)c2ccncc2)C1
InChIInChI=1S/C14H24N4O2S/c1-12(14-5-7-16-8-6-14)17-21(19,20)18-9-3-4-13(11-18)10-15-2/h5-8,12-13,15,17H,3-4,9-11H2,1-2H3
InChIKeyNOMHFEXSYIKQFE-UHFFFAOYSA-N
XLogP0.91
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 106021797
3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
CID 106053452
N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106063964
3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide
CID 106030813
N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106052235
N-methyl-1-[1-(2-propan-2-ylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
CID 122560095
N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332
3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106065622
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
N-(2-methoxypropyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 102701574
N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106061253
N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106018117

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide (CID 106022034) is 3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)NC(C)c2ccncc2)C1.
What is the InChIKey of 3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide?
The InChIKey is NOMHFEXSYIKQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-12(14-5-7-16-8-6-14)17-21(19,20)18-9-3-4-13(11-18)10-15-2/h5-8,12-13,15,17H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide?
3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106022034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).