N-methoxy-2,2-dimethylpropane-1-sulfonamide

C6H15NO3S — CID 64973863

IUPACN-methoxy-2,2-dimethylpropane-1-sulfonamide
SMILESCONS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C6H15NO3S/c1-6(2,3)5-11(8,9)7-10-4/h7H,5H2,1-4H3
InChIKeyDJSQPFNOISRTPZ-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.51
Rot. Bonds3

About N-methoxy-2,2-dimethylpropane-1-sulfonamide

N-methoxy-2,2-dimethylpropane-1-sulfonamide (PubChem CID 64973863) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-methoxy-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-methoxy-2,2-dimethylpropane-1-sulfonamide
PubChem CID64973863
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC NameN-methoxy-2,2-dimethylpropane-1-sulfonamide
SMILESCONS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C6H15NO3S/c1-6(2,3)5-11(8,9)7-10-4/h7H,5H2,1-4H3
InChIKeyDJSQPFNOISRTPZ-UHFFFAOYSA-N
XLogP0.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-methoxy-2,2-dimethylpropane-1-sulfonamide (CID 64973863) is N-methoxy-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-methoxy-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-methoxy-2,2-dimethylpropane-1-sulfonamide is CONS(=O)(=O)CC(C)(C)C.
What is the InChIKey of N-methoxy-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is DJSQPFNOISRTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-6(2,3)5-11(8,9)7-10-4/h7H,5H2,1-4H3.
What are the key properties of N-methoxy-2,2-dimethylpropane-1-sulfonamide?
N-methoxy-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 181.26 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 64973863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).