N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide

C12H19N3O3S — CID 105419964

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2ccc(=O)[nH]c2)CCC1
InChIInChI=1S/C12H19N3O3S/c1-15(2)12(6-3-7-12)9-14-19(17,18)10-4-5-11(16)13-8-10/h4-5,8,14H,3,6-7,9H2,1-2H3,(H,13,16)
InChIKeyDGMQCWYYISTWCO-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.14
Rot. Bonds5

About N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 105419964) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID105419964
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2ccc(=O)[nH]c2)CCC1
InChIInChI=1S/C12H19N3O3S/c1-15(2)12(6-3-7-12)9-14-19(17,18)10-4-5-11(16)13-8-10/h4-5,8,14H,3,6-7,9H2,1-2H3,(H,13,16)
InChIKeyDGMQCWYYISTWCO-UHFFFAOYSA-N
XLogP0.14
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 63831451
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83121671
4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide
CID 55663677
N,N-dimethyl-2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]acetamide
CID 43629293
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide
CID 105419464
3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methoxybenzenesulfonamide
CID 105420140
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91958469
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83113474
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83108257
N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629075
N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102907510

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 105419964) is N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide is CN(C)C1(CNS(=O)(=O)c2ccc(=O)[nH]c2)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is DGMQCWYYISTWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-15(2)12(6-3-7-12)9-14-19(17,18)10-4-5-11(16)13-8-10/h4-5,8,14H,3,6-7,9H2,1-2H3,(H,13,16).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 105419964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).