N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide

C11H26N2O3S — CID 106079958

IUPACN-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)C(C)CNC(C)C
InChIInChI=1S/C11H26N2O3S/c1-9(2)12-7-10(3)17(14,15)13-8-11(4,5)16-6/h9-10,12-13H,7-8H2,1-6H3
InChIKeyWRKXZKSVQAPCRL-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.72
Rot. Bonds8

About N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106079958) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106079958
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)C(C)CNC(C)C
InChIInChI=1S/C11H26N2O3S/c1-9(2)12-7-10(3)17(14,15)13-8-11(4,5)16-6/h9-10,12-13H,7-8H2,1-6H3
InChIKeyWRKXZKSVQAPCRL-UHFFFAOYSA-N
XLogP0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide
CID 106295870
N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 104762864
N-(3-methylbutyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106059116
N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114137559
N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106019710
N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide
CID 114142427
N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106064773
N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106029944
(2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide
CID 99607332
N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106032073
N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106089584
N-(5-methylsulfanylpentyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142684

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106079958) is N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide is COC(C)(C)CNS(=O)(=O)C(C)CNC(C)C.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is WRKXZKSVQAPCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-9(2)12-7-10(3)17(14,15)13-8-11(4,5)16-6/h9-10,12-13H,7-8H2,1-6H3.
What are the key properties of N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106079958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).