N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide

C8H19NO3S — CID 104624458

IUPACN-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide
SMILESCOCCC(C)(C)CNS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-8(2,5-6-12-3)7-9-13(4,10)11/h9H,5-7H2,1-4H3
InChIKeyIUZABXHWRGNNNR-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.60
Rot. Bonds6

About N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide

N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide (PubChem CID 104624458) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide
PubChem CID104624458
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide
SMILESCOCCC(C)(C)CNS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-8(2,5-6-12-3)7-9-13(4,10)11/h9H,5-7H2,1-4H3
InChIKeyIUZABXHWRGNNNR-UHFFFAOYSA-N
XLogP0.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2,2-dimethylpentyl)methanesulfonamide
CID 106141702
4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 113434225
4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol
CID 106143688
2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 104859338
N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113347924
4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62726162
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
N-(4-methoxy-2,2-dimethylbutyl)acetamide
CID 104625400
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924
5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide
CID 103354677
2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide
CID 104624494
2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid
CID 104768994

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide (CID 104624458) is N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide is COCCC(C)(C)CNS(C)(=O)=O.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide?
The InChIKey is IUZABXHWRGNNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-8(2,5-6-12-3)7-9-13(4,10)11/h9H,5-7H2,1-4H3.
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide?
N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide is sourced from PubChem (CID 104624458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).