N-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide

C12H27NO2S — CID 18736100

IUPACN-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide
SMILESCCCCN(CCC(C)(C)C)S(=O)(=O)CC
InChIInChI=1S/C12H27NO2S/c1-6-8-10-13(16(14,15)7-2)11-9-12(3,4)5/h6-11H2,1-5H3
InChIKeyAQZMPOJFYQBFRR-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.87
Rot. Bonds7

About N-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide

N-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide (PubChem CID 18736100) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide
PubChem CID18736100
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide
SMILESCCCCN(CCC(C)(C)C)S(=O)(=O)CC
InChIInChI=1S/C12H27NO2S/c1-6-8-10-13(16(14,15)7-2)11-9-12(3,4)5/h6-11H2,1-5H3
InChIKeyAQZMPOJFYQBFRR-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide?
The IUPAC name of N-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide (CID 18736100) is N-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide.
What is the SMILES notation for N-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide?
The canonical SMILES for N-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide is CCCCN(CCC(C)(C)C)S(=O)(=O)CC.
What is the InChIKey of N-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide?
The InChIKey is AQZMPOJFYQBFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-6-8-10-13(16(14,15)7-2)11-9-12(3,4)5/h6-11H2,1-5H3.
What are the key properties of N-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide?
N-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide has a molecular weight of 249.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3,3-dimethylbutyl)ethanesulfonamide is sourced from PubChem (CID 18736100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).