N-(3,3-dimethylbutyl)-N-propylethanesulfonamide

C11H25NO2S — CID 18735836

IUPACN-(3,3-dimethylbutyl)-N-propylethanesulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)CC
InChIInChI=1S/C11H25NO2S/c1-6-9-12(15(13,14)7-2)10-8-11(3,4)5/h6-10H2,1-5H3
InChIKeyWWYGIOZYZITZLH-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.48
Rot. Bonds6

About N-(3,3-dimethylbutyl)-N-propylethanesulfonamide

N-(3,3-dimethylbutyl)-N-propylethanesulfonamide (PubChem CID 18735836) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N-propylethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N-propylethanesulfonamide
PubChem CID18735836
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-(3,3-dimethylbutyl)-N-propylethanesulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)CC
InChIInChI=1S/C11H25NO2S/c1-6-9-12(15(13,14)7-2)10-8-11(3,4)5/h6-10H2,1-5H3
InChIKeyWWYGIOZYZITZLH-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N-propylethanesulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-N-propylethanesulfonamide (CID 18735836) is N-(3,3-dimethylbutyl)-N-propylethanesulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N-propylethanesulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-N-propylethanesulfonamide is CCCN(CCC(C)(C)C)S(=O)(=O)CC.
What is the InChIKey of N-(3,3-dimethylbutyl)-N-propylethanesulfonamide?
The InChIKey is WWYGIOZYZITZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-6-9-12(15(13,14)7-2)10-8-11(3,4)5/h6-10H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-N-propylethanesulfonamide?
N-(3,3-dimethylbutyl)-N-propylethanesulfonamide has a molecular weight of 235.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N-propylethanesulfonamide is sourced from PubChem (CID 18735836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).