N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide

C12H21N3O3S — CID 104577001

IUPACN,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
SMILESCC(C)OCCNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C12H21N3O3S/c1-10(2)18-8-7-13-12-6-5-11(9-14-12)19(16,17)15(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,13,14)
InChIKeyJTKALFHFSXCRKG-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.17
Rot. Bonds7

About N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide

N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide (PubChem CID 104577001) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
PubChem CID104577001
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC NameN,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
SMILESCC(C)OCCNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C12H21N3O3S/c1-10(2)18-8-7-13-12-6-5-11(9-14-12)19(16,17)15(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,13,14)
InChIKeyJTKALFHFSXCRKG-UHFFFAOYSA-N
XLogP1.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103853630
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 104765369
6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 107389803
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 106338159
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103704076
6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 103340951
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate
CID 103340848
6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113250552

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide (CID 104577001) is N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide is CC(C)OCCNc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide?
The InChIKey is JTKALFHFSXCRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-10(2)18-8-7-13-12-6-5-11(9-14-12)19(16,17)15(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,13,14).
What are the key properties of N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide?
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 104577001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).