N-ethylsulfonyl-3-methylbutanamide

C7H15NO3S — CID 18430545

IUPACN-ethylsulfonyl-3-methylbutanamide
SMILESCCS(=O)(=O)NC(=O)CC(C)C
InChIInChI=1S/C7H15NO3S/c1-4-12(10,11)8-7(9)5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyIVKBPNQSFFNSST-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.50
Rot. Bonds4

About N-ethylsulfonyl-3-methylbutanamide

N-ethylsulfonyl-3-methylbutanamide (PubChem CID 18430545) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-ethylsulfonyl-3-methylbutanamide.

Molecular Properties

Compound NameN-ethylsulfonyl-3-methylbutanamide
PubChem CID18430545
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-ethylsulfonyl-3-methylbutanamide
SMILESCCS(=O)(=O)NC(=O)CC(C)C
InChIInChI=1S/C7H15NO3S/c1-4-12(10,11)8-7(9)5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyIVKBPNQSFFNSST-UHFFFAOYSA-N
XLogP0.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-3-methylbutanamide?
The IUPAC name of N-ethylsulfonyl-3-methylbutanamide (CID 18430545) is N-ethylsulfonyl-3-methylbutanamide.
What is the SMILES notation for N-ethylsulfonyl-3-methylbutanamide?
The canonical SMILES for N-ethylsulfonyl-3-methylbutanamide is CCS(=O)(=O)NC(=O)CC(C)C.
What is the InChIKey of N-ethylsulfonyl-3-methylbutanamide?
The InChIKey is IVKBPNQSFFNSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-4-12(10,11)8-7(9)5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N-ethylsulfonyl-3-methylbutanamide?
N-ethylsulfonyl-3-methylbutanamide has a molecular weight of 193.27 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-3-methylbutanamide is sourced from PubChem (CID 18430545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).