N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide

C11H20N4O4S2 — CID 63862617

IUPACN-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCC(C)(C)NS(C)(=O)=O)cn1
InChIInChI=1S/C11H20N4O4S2/c1-11(2,15-20(4,16)17)8-14-21(18,19)9-5-6-10(12-3)13-7-9/h5-7,14-15H,8H2,1-4H3,(H,12,13)
InChIKeyIQKQRQBFGVQHOG-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.27
Rot. Bonds7

About N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide

N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 63862617) has the molecular formula C11H20N4O4S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide
PubChem CID63862617
Molecular FormulaC11H20N4O4S2
Molecular Weight336.44 g/mol
Exact Mass336.09
IUPAC NameN-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCC(C)(C)NS(C)(=O)=O)cn1
InChIInChI=1S/C11H20N4O4S2/c1-11(2,15-20(4,16)17)8-14-21(18,19)9-5-6-10(12-3)13-7-9/h5-7,14-15H,8H2,1-4H3,(H,12,13)
InChIKeyIQKQRQBFGVQHOG-UHFFFAOYSA-N
XLogP-0.27
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-sulfonamide
CID 63864494
N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide
CID 63859195
4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide
CID 103697603
N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 103464350
N-[2-(dimethylsulfamoyl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106342326
6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62144545
N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62158260
2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide
CID 81245129
N-[2-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-yl]methanesulfonamide
CID 80818699
6-(methylamino)-N-piperidin-1-ylpyridine-3-sulfonamide
CID 83023083
N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62152225
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide (CID 63862617) is N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)NCC(C)(C)NS(C)(=O)=O)cn1.
What is the InChIKey of N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is IQKQRQBFGVQHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S2/c1-11(2,15-20(4,16)17)8-14-21(18,19)9-5-6-10(12-3)13-7-9/h5-7,14-15H,8H2,1-4H3,(H,12,13).
What are the key properties of N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide?
N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 63862617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).