6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide

C12H21N3O3S — CID 103704076

IUPAC6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCOC(C)(C)CNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C12H21N3O3S/c1-12(2,18-5)9-14-11-7-6-10(8-13-11)19(16,17)15(3)4/h6-8H,9H2,1-5H3,(H,13,14)
InChIKeyFIJYFIQDADTESF-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.17
Rot. Bonds6

About 6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide

6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103704076) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103704076
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCOC(C)(C)CNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C12H21N3O3S/c1-12(2,18-5)9-14-11-7-6-10(8-13-11)19(16,17)15(3)4/h6-8H,9H2,1-5H3,(H,13,14)
InChIKeyFIJYFIQDADTESF-UHFFFAOYSA-N
XLogP1.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

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Related Compounds

6-Aminopyridine-3-sulfonamide
CID 459534
1-(2-Methoxyethyl)-3-pyridin-2-ylthiourea
CID 1854097
N-cyclohexyl-6-morpholino-3-pyridinesulfonamide
CID 2738739
N-benzyl-N-methyl-6-morpholino-3-pyridinesulfonamide
CID 2738750
N-ethyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 5267927
4-[6-(4-Propan-2-ylpiperazin-1-yl)pyridin-3-yl]sulfonylmorpholine
CID 1214505
3-Methyl-4H-pyrido(2,3-e)-1,2,4-thiadiazine 1,1-
CID 116790
2H-Pyrido(2,3-e)-1,2,4-thiadiazine, 1,1-dioxide
CID 3054012
6-amino-N,N-dimethylpyridine-3-sulfonamide
CID 5267643
(Benzenesulfonyl-pyridin-2-yl-amino)-acetic acid methyl ester
CID 646955
6-(benzylamino)-N,N-diethyl-3-pyridinesulfonamide
CID 829837
N,N-diethyl-6-[4-(2-hydroxyethyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 901301

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide (CID 103704076) is 6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide is COC(C)(C)CNc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is FIJYFIQDADTESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-12(2,18-5)9-14-11-7-6-10(8-13-11)19(16,17)15(3)4/h6-8H,9H2,1-5H3,(H,13,14).
What are the key properties of 6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103704076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).