N-(2,2-dimethylpropyl)butane-1-sulfonamide

C9H21NO2S — CID 13222556

IUPACN-(2,2-dimethylpropyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-5-6-7-13(11,12)10-8-9(2,3)4/h10H,5-8H2,1-4H3
InChIKeyIGWPLCNNBUPMGC-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds5

About N-(2,2-dimethylpropyl)butane-1-sulfonamide

N-(2,2-dimethylpropyl)butane-1-sulfonamide (PubChem CID 13222556) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)butane-1-sulfonamide
PubChem CID13222556
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(2,2-dimethylpropyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-5-6-7-13(11,12)10-8-9(2,3)4/h10H,5-8H2,1-4H3
InChIKeyIGWPLCNNBUPMGC-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)butane-1-sulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)butane-1-sulfonamide (CID 13222556) is N-(2,2-dimethylpropyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)butane-1-sulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)butane-1-sulfonamide?
The InChIKey is IGWPLCNNBUPMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-5-6-7-13(11,12)10-8-9(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)butane-1-sulfonamide?
N-(2,2-dimethylpropyl)butane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)butane-1-sulfonamide is sourced from PubChem (CID 13222556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).