6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide

C12H20N4O2S — CID 106642822

IUPAC6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide
SMILESCN(CC1CCCNC1)c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C12H20N4O2S/c1-16(9-10-3-2-6-14-7-10)12-5-4-11(8-15-12)19(13,17)18/h4-5,8,10,14H,2-3,6-7,9H2,1H3,(H2,13,17,18)
InChIKeyNEGRLSHUNIUMRC-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.16
Rot. Bonds4

About 6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide

6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide (PubChem CID 106642822) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide
PubChem CID106642822
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide
SMILESCN(CC1CCCNC1)c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C12H20N4O2S/c1-16(9-10-3-2-6-14-7-10)12-5-4-11(8-15-12)19(13,17)18/h4-5,8,10,14H,2-3,6-7,9H2,1H3,(H2,13,17,18)
InChIKeyNEGRLSHUNIUMRC-UHFFFAOYSA-N
XLogP0.16
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 71642116
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131
N,5-dimethyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 106642612
4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide
CID 106643953
N-methyl-N-(piperidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642141
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71642119
N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide
CID 103341176
4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide
CID 106643519
6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97164469
4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630836
5-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106642977
N-ethyl-5-fluoro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643283

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide?
The IUPAC name of 6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide (CID 106642822) is 6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide?
The canonical SMILES for 6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide is CN(CC1CCCNC1)c1ccc(S(N)(=O)=O)cn1.
What is the InChIKey of 6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide?
The InChIKey is NEGRLSHUNIUMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-16(9-10-3-2-6-14-7-10)12-5-4-11(8-15-12)19(13,17)18/h4-5,8,10,14H,2-3,6-7,9H2,1H3,(H2,13,17,18).
What are the key properties of 6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide?
6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 106642822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).