N,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide

C11H26N2O4S — CID 159595183

IUPACN,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide
SMILESCC(C)S(=O)(=O)N(C)C.CON(C)C(=O)C(C)C
InChIInChI=1S/C6H13NO2.C5H13NO2S/c1-5(2)6(8)7(3)9-4;1-5(2)9(7,8)6(3)4/h2*5H,1-4H3
InChIKeyMKSZZNBEEYTOJR-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.95
Rot. Bonds4

About N,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide

N,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide (PubChem CID 159595183) has the molecular formula C11H26N2O4S and a molecular weight of 282.41 g/mol. Its IUPAC name is N,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide
PubChem CID159595183
Molecular FormulaC11H26N2O4S
Molecular Weight282.41 g/mol
Exact Mass282.16
IUPAC NameN,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide
SMILESCC(C)S(=O)(=O)N(C)C.CON(C)C(=O)C(C)C
InChIInChI=1S/C6H13NO2.C5H13NO2S/c1-5(2)6(8)7(3)9-4;1-5(2)9(7,8)6(3)4/h2*5H,1-4H3
InChIKeyMKSZZNBEEYTOJR-UHFFFAOYSA-N
XLogP0.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(dimethylsulfamoyl)propanoate
CID 63363151
N-methoxy-N,2,4-trimethylpentanamide
CID 161245608
methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide
CID 158882203
3-hydroxy-N-methoxy-N,2-dimethylpentanamide
CID 85166766
methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate
CID 60865310
(2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide
CID 134856365
(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide
CID 11116505
(2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide
CID 71492099
1,3-dimethoxy-1,3-dimethylurea
CID 11159391
[1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+)
CID 59898303
N-methoxy-N,3-dimethylbutanamide
CID 10975620
(2S)-N-methoxy-N-methyl-2-phenoxypropanamide
CID 95297395

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide?
The IUPAC name of N,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide (CID 159595183) is N,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for N,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for N,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide is CC(C)S(=O)(=O)N(C)C.CON(C)C(=O)C(C)C.
What is the InChIKey of N,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide?
The InChIKey is MKSZZNBEEYTOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C5H13NO2S/c1-5(2)6(8)7(3)9-4;1-5(2)9(7,8)6(3)4/h2*5H,1-4H3.
What are the key properties of N,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide?
N,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide has a molecular weight of 282.41 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 159595183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).