N-(methoxymethyl)butane-2-sulfonamide

C6H15NO3S — CID 59716187

IUPACN-(methoxymethyl)butane-2-sulfonamide
SMILESCCC(C)S(=O)(=O)NCOC
InChIInChI=1S/C6H15NO3S/c1-4-6(2)11(8,9)7-5-10-3/h6-7H,4-5H2,1-3H3
InChIKeyMFXHFJVUWYKDOT-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.31
Rot. Bonds5

About N-(methoxymethyl)butane-2-sulfonamide

N-(methoxymethyl)butane-2-sulfonamide (PubChem CID 59716187) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(methoxymethyl)butane-2-sulfonamide.

Molecular Properties

Compound NameN-(methoxymethyl)butane-2-sulfonamide
PubChem CID59716187
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC NameN-(methoxymethyl)butane-2-sulfonamide
SMILESCCC(C)S(=O)(=O)NCOC
InChIInChI=1S/C6H15NO3S/c1-4-6(2)11(8,9)7-5-10-3/h6-7H,4-5H2,1-3H3
InChIKeyMFXHFJVUWYKDOT-UHFFFAOYSA-N
XLogP0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methylbutane-1-sulfonamide
CID 13343581
N-Methylpropane-1-sulfonamide
CID 14399856
N-methylpropane-2-sulfonamide
CID 20487245
2-methoxy-N-methylethane-1-sulfonamide
CID 59786686
N-methyloxetane-3-sulfonamide
CID 97617711
(2S)-1-methoxy-N-methylpropane-2-sulfonamide
CID 165739382
(2R)-1-methoxy-N-methylpropane-2-sulfonamide
CID 165739383
N-methylbutane-2-sulfonamide
CID 21703064
N-propylsulfonylformamide
CID 21881858
N-propan-2-ylsulfonylformamide
CID 21938292
2-ethoxy-N-methylethanesulfonamide
CID 23568025
N-butylsulfonylformamide
CID 54068891

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)butane-2-sulfonamide?
The IUPAC name of N-(methoxymethyl)butane-2-sulfonamide (CID 59716187) is N-(methoxymethyl)butane-2-sulfonamide.
What is the SMILES notation for N-(methoxymethyl)butane-2-sulfonamide?
The canonical SMILES for N-(methoxymethyl)butane-2-sulfonamide is CCC(C)S(=O)(=O)NCOC.
What is the InChIKey of N-(methoxymethyl)butane-2-sulfonamide?
The InChIKey is MFXHFJVUWYKDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-4-6(2)11(8,9)7-5-10-3/h6-7H,4-5H2,1-3H3.
What are the key properties of N-(methoxymethyl)butane-2-sulfonamide?
N-(methoxymethyl)butane-2-sulfonamide has a molecular weight of 181.26 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)butane-2-sulfonamide is sourced from PubChem (CID 59716187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).