3-amino-N-ethylsulfonyl-3-methylbutanamide

C7H16N2O3S — CID 103307102

IUPAC3-amino-N-ethylsulfonyl-3-methylbutanamide
SMILESCCS(=O)(=O)NC(=O)CC(C)(C)N
InChIInChI=1S/C7H16N2O3S/c1-4-13(11,12)9-6(10)5-7(2,3)8/h4-5,8H2,1-3H3,(H,9,10)
InChIKeyFCBKREZTRNRIGE-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.42
Rot. Bonds4

About 3-amino-N-ethylsulfonyl-3-methylbutanamide

3-amino-N-ethylsulfonyl-3-methylbutanamide (PubChem CID 103307102) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-amino-N-ethylsulfonyl-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-ethylsulfonyl-3-methylbutanamide
PubChem CID103307102
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name3-amino-N-ethylsulfonyl-3-methylbutanamide
SMILESCCS(=O)(=O)NC(=O)CC(C)(C)N
InChIInChI=1S/C7H16N2O3S/c1-4-13(11,12)9-6(10)5-7(2,3)8/h4-5,8H2,1-3H3,(H,9,10)
InChIKeyFCBKREZTRNRIGE-UHFFFAOYSA-N
XLogP-0.42
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethylsulfonyl-3-methylbutanamide?
The IUPAC name of 3-amino-N-ethylsulfonyl-3-methylbutanamide (CID 103307102) is 3-amino-N-ethylsulfonyl-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-ethylsulfonyl-3-methylbutanamide?
The canonical SMILES for 3-amino-N-ethylsulfonyl-3-methylbutanamide is CCS(=O)(=O)NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-ethylsulfonyl-3-methylbutanamide?
The InChIKey is FCBKREZTRNRIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-4-13(11,12)9-6(10)5-7(2,3)8/h4-5,8H2,1-3H3,(H,9,10).
What are the key properties of 3-amino-N-ethylsulfonyl-3-methylbutanamide?
3-amino-N-ethylsulfonyl-3-methylbutanamide has a molecular weight of 208.28 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethylsulfonyl-3-methylbutanamide is sourced from PubChem (CID 103307102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).