3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide

C15H26N4O2S — CID 45215887

IUPAC3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCN(Cc1ccncc1)C1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C15H26N4O2S/c1-4-18(12-14-7-9-16-10-8-14)15-6-5-11-19(13-15)22(20,21)17(2)3/h7-10,15H,4-6,11-13H2,1-3H3
InChIKeyRTGDXGKZOMYRSU-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.17
Rot. Bonds6

About 3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide

3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 45215887) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID45215887
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCN(Cc1ccncc1)C1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C15H26N4O2S/c1-4-18(12-14-7-9-16-10-8-14)15-6-5-11-19(13-15)22(20,21)17(2)3/h7-10,15H,4-6,11-13H2,1-3H3
InChIKeyRTGDXGKZOMYRSU-UHFFFAOYSA-N
XLogP1.17
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Paraquat
CID 15939
Trimedoxime Bromide
CID 135565598
Paraquat dimetilsulfate
CID 62422
Obidoxime
CID 135412781
4-(2-Pyrrolidinoethyl)pyridine
CID 238432
4-[2-(1-Piperidinyl)ethyl]pyridine
CID 83476
Pyridine, 4,4'-(1E)-1,2-ethenediylbis-
CID 776222
Dimethyl-(2-pyridin-3-yl-ethyl)-amine
CID 4401657
1-Methyl-2-(3-pyridyl)piperidine
CID 29758
Trimedoxime
CID 135539427
Pyridine, 4-(2-dimethylaminoethyl)-
CID 98899
3-((2S)-1-Methyl-2-piperidinyl)pyridine
CID 927709

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide (CID 45215887) is 3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide is CCN(Cc1ccncc1)C1CCCN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of 3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is RTGDXGKZOMYRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-4-18(12-14-7-9-16-10-8-14)15-6-5-11-19(13-15)22(20,21)17(2)3/h7-10,15H,4-6,11-13H2,1-3H3.
What are the key properties of 3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide?
3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 326.47 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 45215887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).