N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide

C13H23N3O2S — CID 106071152

IUPACN-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)C(C)CNC(C)C)c(C)n1
InChIInChI=1S/C13H23N3O2S/c1-9(2)14-8-11(4)19(17,18)16-13-7-6-10(3)15-12(13)5/h6-7,9,11,14,16H,8H2,1-5H3
InChIKeyHWINTBQJDIHBKR-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.83
Rot. Bonds6

About N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106071152) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106071152
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)C(C)CNC(C)C)c(C)n1
InChIInChI=1S/C13H23N3O2S/c1-9(2)14-8-11(4)19(17,18)16-13-7-6-10(3)15-12(13)5/h6-7,9,11,14,16H,8H2,1-5H3
InChIKeyHWINTBQJDIHBKR-UHFFFAOYSA-N
XLogP1.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cycloheptylamino)-4-pyridinyl]methanesulfonamide;hydrochloride
CID 49861335
N-(pyridin-2-ylmethyl)methanesulfonamide
CID 4657001
N-(pyridin-3-yl)methanesulfonamide
CID 3844774
N-(pyridin-3-yl)ethane-1-sulfonamide
CID 4380737
1-(Pyridin-2-yl)ethane-1-sulfonamide
CID 62085816
N-[(1S)-1-(pyridin-2-yl)ethyl]methanesulfonamide
CID 78980240
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanesulfonamide
CID 53565126
3-[2-(Diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 56782566
N-[1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl]methanesulfonamide
CID 70746798
2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
CID 79041776
N-(1-methanesulfonylpropan-2-yl)-2-methylpyridin-3-amine
CID 79042453
3-[(2-Methylpyridin-3-yl)amino]-1lambda6-thiane-1,1-dione
CID 79042679

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106071152) is N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide is Cc1ccc(NS(=O)(=O)C(C)CNC(C)C)c(C)n1.
What is the InChIKey of N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is HWINTBQJDIHBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-9(2)14-8-11(4)19(17,18)16-13-7-6-10(3)15-12(13)5/h6-7,9,11,14,16H,8H2,1-5H3.
What are the key properties of N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106071152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).