N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide

C12H21N3O3S — CID 61479202

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)C(CN(C)C)NS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H21N3O3S/c1-9(2)11(8-15(3)4)14-19(17,18)10-5-6-12(16)13-7-10/h5-7,9,11,14H,8H2,1-4H3,(H,13,16)
InChIKeyDEZUSKAGRSTMFT-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.24
Rot. Bonds6

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 61479202) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID61479202
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)C(CN(C)C)NS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H21N3O3S/c1-9(2)11(8-15(3)4)14-19(17,18)10-5-6-12(16)13-7-10/h5-7,9,11,14H,8H2,1-4H3,(H,13,16)
InChIKeyDEZUSKAGRSTMFT-UHFFFAOYSA-N
XLogP0.24
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629183
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide
CID 61478066
N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54955517
N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629090
N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102907510
6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide
CID 114613286
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64605936
N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629075
N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-(ethylamino)pyridine-3-sulfonamide
CID 62159357
2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]-N-propylpropanamide
CID 61250492
6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide
CID 43629384

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide (CID 61479202) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide is CC(C)C(CN(C)C)NS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is DEZUSKAGRSTMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-9(2)11(8-15(3)4)14-19(17,18)10-5-6-12(16)13-7-10/h5-7,9,11,14H,8H2,1-4H3,(H,13,16).
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 61479202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).