2-ethylsulfonyl-N-(2-methylpropyl)acetamide

C8H17NO3S — CID 59432773

IUPAC2-ethylsulfonyl-N-(2-methylpropyl)acetamide
SMILESCCS(=O)(=O)CC(=O)NCC(C)C
InChIInChI=1S/C8H17NO3S/c1-4-13(11,12)6-8(10)9-5-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeySSXSYQIJRAMILB-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.19
Rot. Bonds5

About 2-ethylsulfonyl-N-(2-methylpropyl)acetamide

2-ethylsulfonyl-N-(2-methylpropyl)acetamide (PubChem CID 59432773) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(2-methylpropyl)acetamide
PubChem CID59432773
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-ethylsulfonyl-N-(2-methylpropyl)acetamide
SMILESCCS(=O)(=O)CC(=O)NCC(C)C
InChIInChI=1S/C8H17NO3S/c1-4-13(11,12)6-8(10)9-5-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeySSXSYQIJRAMILB-UHFFFAOYSA-N
XLogP0.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-ethylsulfonyl-N-(2-methylpropyl)acetamide (CID 59432773) is 2-ethylsulfonyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-ethylsulfonyl-N-(2-methylpropyl)acetamide is CCS(=O)(=O)CC(=O)NCC(C)C.
What is the InChIKey of 2-ethylsulfonyl-N-(2-methylpropyl)acetamide?
The InChIKey is SSXSYQIJRAMILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-4-13(11,12)6-8(10)9-5-7(2)3/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of 2-ethylsulfonyl-N-(2-methylpropyl)acetamide?
2-ethylsulfonyl-N-(2-methylpropyl)acetamide has a molecular weight of 207.29 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 59432773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).