N-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide

C13H30N2O2S — CID 79470902

IUPACN-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)N(CC)CC(C)CC
InChIInChI=1S/C13H30N2O2S/c1-5-13(4)12-15(7-3)18(16,17)11-9-8-10-14-6-2/h13-14H,5-12H2,1-4H3
InChIKeyHJOQVQIVNFWTLJ-UHFFFAOYSA-N
MW278.46 g/mol
LogP2.07
Rot. Bonds11

About N-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide

N-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide (PubChem CID 79470902) has the molecular formula C13H30N2O2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide
PubChem CID79470902
Molecular FormulaC13H30N2O2S
Molecular Weight278.46 g/mol
Exact Mass278.20
IUPAC NameN-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)N(CC)CC(C)CC
InChIInChI=1S/C13H30N2O2S/c1-5-13(4)12-15(7-3)18(16,17)11-9-8-10-14-6-2/h13-14H,5-12H2,1-4H3
InChIKeyHJOQVQIVNFWTLJ-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide?
The IUPAC name of N-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide (CID 79470902) is N-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide.
What is the SMILES notation for N-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide?
The canonical SMILES for N-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide is CCNCCCCS(=O)(=O)N(CC)CC(C)CC.
What is the InChIKey of N-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide?
The InChIKey is HJOQVQIVNFWTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2S/c1-5-13(4)12-15(7-3)18(16,17)11-9-8-10-14-6-2/h13-14H,5-12H2,1-4H3.
What are the key properties of N-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide?
N-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide has a molecular weight of 278.46 g/mol, XLogP of 2.07, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(ethylamino)-N-(2-methylbutyl)butane-1-sulfonamide is sourced from PubChem (CID 79470902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).