N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide

C13H21N3O2S — CID 107401260

IUPACN-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cnccc1NC
InChIInChI=1S/C13H21N3O2S/c1-3-16(10-11-5-4-6-11)19(17,18)13-9-15-8-7-12(13)14-2/h7-9,11H,3-6,10H2,1-2H3,(H,14,15)
InChIKeyTVZAEJGPYUMJEL-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.93
Rot. Bonds6

About N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide

N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide (PubChem CID 107401260) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide
PubChem CID107401260
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cnccc1NC
InChIInChI=1S/C13H21N3O2S/c1-3-16(10-11-5-4-6-11)19(17,18)13-9-15-8-7-12(13)14-2/h7-9,11H,3-6,10H2,1-2H3,(H,14,15)
InChIKeyTVZAEJGPYUMJEL-UHFFFAOYSA-N
XLogP1.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide
CID 107399525
N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide
CID 107401225
N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64520844
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide
CID 79310769
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
3-[cyclobutylmethyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 107398793
N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide
CID 107402685
N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide
CID 81062766
N-cyclopentyl-N-ethyl-4-(methylamino)pyridine-3-carboxamide
CID 81242486
6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398335
N-(cyclobutylmethyl)-N-ethyl-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107402831

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide (CID 107401260) is N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide is CCN(CC1CCC1)S(=O)(=O)c1cnccc1NC.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide?
The InChIKey is TVZAEJGPYUMJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-16(10-11-5-4-6-11)19(17,18)13-9-15-8-7-12(13)14-2/h7-9,11H,3-6,10H2,1-2H3,(H,14,15).
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide?
N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 107401260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).