N-butan-2-yl-N-ethylethanesulfonamide

C8H19NO2S — CID 64586916

IUPACN-butan-2-yl-N-ethylethanesulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)CC
InChIInChI=1S/C8H19NO2S/c1-5-8(4)9(6-2)12(10,11)7-3/h8H,5-7H2,1-4H3
InChIKeyZZKICKHVZSKYMJ-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.46
Rot. Bonds5

About N-butan-2-yl-N-ethylethanesulfonamide

N-butan-2-yl-N-ethylethanesulfonamide (PubChem CID 64586916) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-butan-2-yl-N-ethylethanesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethylethanesulfonamide
PubChem CID64586916
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-butan-2-yl-N-ethylethanesulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)CC
InChIInChI=1S/C8H19NO2S/c1-5-8(4)9(6-2)12(10,11)7-3/h8H,5-7H2,1-4H3
InChIKeyZZKICKHVZSKYMJ-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethylethanesulfonamide?
The IUPAC name of N-butan-2-yl-N-ethylethanesulfonamide (CID 64586916) is N-butan-2-yl-N-ethylethanesulfonamide.
What is the SMILES notation for N-butan-2-yl-N-ethylethanesulfonamide?
The canonical SMILES for N-butan-2-yl-N-ethylethanesulfonamide is CCC(C)N(CC)S(=O)(=O)CC.
What is the InChIKey of N-butan-2-yl-N-ethylethanesulfonamide?
The InChIKey is ZZKICKHVZSKYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-5-8(4)9(6-2)12(10,11)7-3/h8H,5-7H2,1-4H3.
What are the key properties of N-butan-2-yl-N-ethylethanesulfonamide?
N-butan-2-yl-N-ethylethanesulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethylethanesulfonamide is sourced from PubChem (CID 64586916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).