N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide

C12H27NO3S — CID 103684499

IUPACN-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-6-12(14,7-2)10-13-17(15,16)9-8-11(3,4)5/h13-14H,6-10H2,1-5H3
InChIKeyIGJSWSQGVQYDTN-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.89
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide

N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103684499) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103684499
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-6-12(14,7-2)10-13-17(15,16)9-8-11(3,4)5/h13-14H,6-10H2,1-5H3
InChIKeyIGJSWSQGVQYDTN-UHFFFAOYSA-N
XLogP1.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059714
4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide
CID 116816263
1-bromo-N-(2-ethyl-2-hydroxybutyl)methanesulfonamide
CID 83086798
N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 106141530
2-(3,3-dimethylbutylsulfonylamino)acetamide
CID 103521045
N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide
CID 103835338
N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide
CID 71848189
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide
CID 111448426
N-(2,2-dimethylbutyl)propane-1-sulfonamide
CID 103465142
N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 113240024
N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106286721
N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103828845

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide (CID 103684499) is N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide is CCC(O)(CC)CNS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is IGJSWSQGVQYDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-6-12(14,7-2)10-13-17(15,16)9-8-11(3,4)5/h13-14H,6-10H2,1-5H3.
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide?
N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 265.42 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103684499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).