N-(2,2-dimethylbutyl)propane-1-sulfonamide

C9H21NO2S — CID 103465142

IUPACN-(2,2-dimethylbutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(C)CC
InChIInChI=1S/C9H21NO2S/c1-5-7-13(11,12)10-8-9(3,4)6-2/h10H,5-8H2,1-4H3
InChIKeyPMOCMYYHZUWQSG-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds6

About N-(2,2-dimethylbutyl)propane-1-sulfonamide

N-(2,2-dimethylbutyl)propane-1-sulfonamide (PubChem CID 103465142) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)propane-1-sulfonamide
PubChem CID103465142
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(2,2-dimethylbutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(C)CC
InChIInChI=1S/C9H21NO2S/c1-5-7-13(11,12)10-8-9(3,4)6-2/h10H,5-8H2,1-4H3
InChIKeyPMOCMYYHZUWQSG-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylbutyl)-4-(propylamino)butane-1-sulfonamide
CID 103466329
N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide
CID 103844842
N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
CID 114944335
N-(2-amino-2-methylpropyl)butane-1-sulfonamide
CID 115303565
N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
CID 66178797
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 106141530
1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide
CID 103461770
ethyl-[3-(hexadecylsulfonylamino)-2,2-dimethylpropyl]-dimethylazanium iodide
CID 73351061
N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103684499
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924
N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide
CID 57166423

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)propane-1-sulfonamide?
The IUPAC name of N-(2,2-dimethylbutyl)propane-1-sulfonamide (CID 103465142) is N-(2,2-dimethylbutyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)propane-1-sulfonamide?
The canonical SMILES for N-(2,2-dimethylbutyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)(C)CC.
What is the InChIKey of N-(2,2-dimethylbutyl)propane-1-sulfonamide?
The InChIKey is PMOCMYYHZUWQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-5-7-13(11,12)10-8-9(3,4)6-2/h10H,5-8H2,1-4H3.
What are the key properties of N-(2,2-dimethylbutyl)propane-1-sulfonamide?
N-(2,2-dimethylbutyl)propane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)propane-1-sulfonamide is sourced from PubChem (CID 103465142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).