N-methoxy-N,3-dimethylbutane-1-sulfonamide

C7H17NO3S — CID 64591368

IUPACN-methoxy-N,3-dimethylbutane-1-sulfonamide
SMILESCON(C)S(=O)(=O)CCC(C)C
InChIInChI=1S/C7H17NO3S/c1-7(2)5-6-12(9,10)8(3)11-4/h7H,5-6H2,1-4H3
InChIKeyMCEBAPLCYOUKBG-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.86
Rot. Bonds5

About N-methoxy-N,3-dimethylbutane-1-sulfonamide

N-methoxy-N,3-dimethylbutane-1-sulfonamide (PubChem CID 64591368) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-methoxy-N,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-methoxy-N,3-dimethylbutane-1-sulfonamide
PubChem CID64591368
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-methoxy-N,3-dimethylbutane-1-sulfonamide
SMILESCON(C)S(=O)(=O)CCC(C)C
InChIInChI=1S/C7H17NO3S/c1-7(2)5-6-12(9,10)8(3)11-4/h7H,5-6H2,1-4H3
InChIKeyMCEBAPLCYOUKBG-UHFFFAOYSA-N
XLogP0.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N-methylpropane-1-sulfonamide
CID 64591183
N-(2-bromo-3-methoxypropyl)-N,3-dimethylbutane-1-sulfonamide
CID 80673815
N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide
CID 106441706
2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanethioamide
CID 63857328
3-methyl-1-methylsulfonylbutane
CID 20712453
2-[carboxymethyl(3-methylbutylsulfonyl)amino]acetic acid
CID 63858018
2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63856773
1-(2,2-dimethoxyethylsulfonyl)-3-methylbutane
CID 107767944
N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methylbutane-1-sulfonamide
CID 55261573
lithium 3-methylbutane-1-sulfonate
CID 122481809
3-methylbutane-1-sulfonyl bromide
CID 87774159
N-[(3-bromocyclobutyl)methyl]-N,3-dimethylbutane-1-sulfonamide
CID 80675003

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-methoxy-N,3-dimethylbutane-1-sulfonamide (CID 64591368) is N-methoxy-N,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-methoxy-N,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-methoxy-N,3-dimethylbutane-1-sulfonamide is CON(C)S(=O)(=O)CCC(C)C.
What is the InChIKey of N-methoxy-N,3-dimethylbutane-1-sulfonamide?
The InChIKey is MCEBAPLCYOUKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-7(2)5-6-12(9,10)8(3)11-4/h7H,5-6H2,1-4H3.
What are the key properties of N-methoxy-N,3-dimethylbutane-1-sulfonamide?
N-methoxy-N,3-dimethylbutane-1-sulfonamide has a molecular weight of 195.28 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 64591368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).