6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide

C13H22N4O2S — CID 105413746

IUPAC6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2ccc(N)nc2)CCC1
InChIInChI=1S/C13H22N4O2S/c1-16(2)13(7-4-8-13)10-17(3)20(18,19)11-5-6-12(14)15-9-11/h5-6,9H,4,7-8,10H2,1-3H3,(H2,14,15)
InChIKeyFVSIFCICGXWLJL-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.77
Rot. Bonds5

About 6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide

6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide (PubChem CID 105413746) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide
PubChem CID105413746
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2ccc(N)nc2)CCC1
InChIInChI=1S/C13H22N4O2S/c1-16(2)13(7-4-8-13)10-17(3)20(18,19)11-5-6-12(14)15-9-11/h5-6,9H,4,7-8,10H2,1-3H3,(H2,14,15)
InChIKeyFVSIFCICGXWLJL-UHFFFAOYSA-N
XLogP0.77
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Sulfapyridine
CID 5336
Sulfapyridine Sodium
CID 23667654
6-Aminopyridine-3-sulfonamide
CID 459534
[5-(4-Methyl-piperazine-1-sulfonyl)-pyridin-2-yl]-hydrazine
CID 2461353
N,N-diethyl-6-hydrazinylpyridine-3-sulfonamide
CID 3863748
2-Pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine
CID 5268161
N-(4-Methyl-2-pyridyl)benzenesulfonamide
CID 739341
N-ethyl-6-hydrazinyl-N-phenylpyridine-3-sulfonamide
CID 2095679
2-Hydrazinyl-5-(piperidine-1-sulfonyl)pyridine
CID 2120283
6-hydrazinyl-N,N-bis(propan-2-yl)pyridine-3-sulfonamide
CID 2120285
N-[5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 2815858
N-(pyridin-2-yl)methanesulfonamide
CID 2831904

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide (CID 105413746) is 6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide is CN(C)C1(CN(C)S(=O)(=O)c2ccc(N)nc2)CCC1.
What is the InChIKey of 6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is FVSIFCICGXWLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-16(2)13(7-4-8-13)10-17(3)20(18,19)11-5-6-12(14)15-9-11/h5-6,9H,4,7-8,10H2,1-3H3,(H2,14,15).
What are the key properties of 6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide?
6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 105413746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).