N-butyl-N-(3,3-dimethylbutyl)butane-1-sulfonamide

C14H31NO2S — CID 18736098

IUPACN-butyl-N-(3,3-dimethylbutyl)butane-1-sulfonamide
SMILESCCCCN(CCC(C)(C)C)S(=O)(=O)CCCC
InChIInChI=1S/C14H31NO2S/c1-6-8-11-15(12-10-14(3,4)5)18(16,17)13-9-7-2/h6-13H2,1-5H3
InChIKeyIJADVFSZMYNABX-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.65
Rot. Bonds9

About N-butyl-N-(3,3-dimethylbutyl)butane-1-sulfonamide

N-butyl-N-(3,3-dimethylbutyl)butane-1-sulfonamide (PubChem CID 18736098) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N-butyl-N-(3,3-dimethylbutyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(3,3-dimethylbutyl)butane-1-sulfonamide
PubChem CID18736098
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN-butyl-N-(3,3-dimethylbutyl)butane-1-sulfonamide
SMILESCCCCN(CCC(C)(C)C)S(=O)(=O)CCCC
InChIInChI=1S/C14H31NO2S/c1-6-8-11-15(12-10-14(3,4)5)18(16,17)13-9-7-2/h6-13H2,1-5H3
InChIKeyIJADVFSZMYNABX-UHFFFAOYSA-N
XLogP3.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.65
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)butane-1-sulfonamide?
The IUPAC name of N-butyl-N-(3,3-dimethylbutyl)butane-1-sulfonamide (CID 18736098) is N-butyl-N-(3,3-dimethylbutyl)butane-1-sulfonamide.
What is the SMILES notation for N-butyl-N-(3,3-dimethylbutyl)butane-1-sulfonamide?
The canonical SMILES for N-butyl-N-(3,3-dimethylbutyl)butane-1-sulfonamide is CCCCN(CCC(C)(C)C)S(=O)(=O)CCCC.
What is the InChIKey of N-butyl-N-(3,3-dimethylbutyl)butane-1-sulfonamide?
The InChIKey is IJADVFSZMYNABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-6-8-11-15(12-10-14(3,4)5)18(16,17)13-9-7-2/h6-13H2,1-5H3.
What are the key properties of N-butyl-N-(3,3-dimethylbutyl)butane-1-sulfonamide?
N-butyl-N-(3,3-dimethylbutyl)butane-1-sulfonamide has a molecular weight of 277.47 g/mol, XLogP of 3.65, 9 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)butane-1-sulfonamide is sourced from PubChem (CID 18736098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).