N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide

C13H22N4O2S — CID 105420260

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C13H22N4O2S/c1-14-12-11(6-4-9-15-12)20(18,19)16-10-13(17(2)3)7-5-8-13/h4,6,9,16H,5,7-8,10H2,1-3H3,(H,14,15)
InChIKeyFIWFDLWKVQYSMD-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.89
Rot. Bonds6

About N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 105420260) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide
PubChem CID105420260
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C13H22N4O2S/c1-14-12-11(6-4-9-15-12)20(18,19)16-10-13(17(2)3)7-5-8-13/h4,6,9,16H,5,7-8,10H2,1-3H3,(H,14,15)
InChIKeyFIWFDLWKVQYSMD-UHFFFAOYSA-N
XLogP0.89
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 105419005
N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62145518
2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79356890
2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62149939
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide
CID 63830359
N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 106900712
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 62164717
methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate
CID 105418983
N-cyclopropyl-2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
CID 62146294
2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-sulfonamide
CID 62824766
2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83107309
2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108494

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide (CID 105420260) is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)NCC1(N(C)C)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is FIWFDLWKVQYSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-14-12-11(6-4-9-15-12)20(18,19)16-10-13(17(2)3)7-5-8-13/h4,6,9,16H,5,7-8,10H2,1-3H3,(H,14,15).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 105420260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).