2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide

C9H19NO3S — CID 75414899

IUPAC2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide
SMILESCCS(=O)(=O)CC(=O)NC(C)C(C)C
InChIInChI=1S/C9H19NO3S/c1-5-14(12,13)6-9(11)10-8(4)7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyKQFRGZUVCHRDFL-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.58
Rot. Bonds5

About 2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide

2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide (PubChem CID 75414899) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide
PubChem CID75414899
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide
SMILESCCS(=O)(=O)CC(=O)NC(C)C(C)C
InChIInChI=1S/C9H19NO3S/c1-5-14(12,13)6-9(11)10-8(4)7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyKQFRGZUVCHRDFL-UHFFFAOYSA-N
XLogP0.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide (CID 75414899) is 2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide is CCS(=O)(=O)CC(=O)NC(C)C(C)C.
What is the InChIKey of 2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is KQFRGZUVCHRDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-5-14(12,13)6-9(11)10-8(4)7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide?
2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 221.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 75414899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).