2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine

C13H20N4O3S — CID 78999103

IUPAC2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine
SMILESCc1ncccc1C(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C13H20N4O3S/c1-10-12(5-2-6-15-10)13(18)17-7-3-4-11(9-17)8-16-21(14,19)20/h2,5-6,11,16H,3-4,7-9H2,1H3,(H2,14,19,20)
InChIKeyJESPPFGNQFZEAI-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.04
Rot. Bonds4

About 2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine

2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine (PubChem CID 78999103) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine.

Molecular Properties

Compound Name2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine
PubChem CID78999103
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine
SMILESCc1ncccc1C(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C13H20N4O3S/c1-10-12(5-2-6-15-10)13(18)17-7-3-4-11(9-17)8-16-21(14,19)20/h2,5-6,11,16H,3-4,7-9H2,1H3,(H2,14,19,20)
InChIKeyJESPPFGNQFZEAI-UHFFFAOYSA-N
XLogP0.04
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120727378
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 124688110
2-oxo-5-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-1H-pyrazine
CID 61130865
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 64722138
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 112630543
N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821205
(2-hydrazinyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62234126
phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate
CID 61132158

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine?
The IUPAC name of 2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine (CID 78999103) is 2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine.
What is the SMILES notation for 2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine?
The canonical SMILES for 2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine is Cc1ncccc1C(=O)N1CCCC(CNS(N)(=O)=O)C1.
What is the InChIKey of 2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine?
The InChIKey is JESPPFGNQFZEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-10-12(5-2-6-15-10)13(18)17-7-3-4-11(9-17)8-16-21(14,19)20/h2,5-6,11,16H,3-4,7-9H2,1H3,(H2,14,19,20).
What are the key properties of 2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine?
2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine has a molecular weight of 312.39 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine is sourced from PubChem (CID 78999103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).