3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide

C9H20N2O3S — CID 103581021

IUPAC3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide
SMILESCCS(=O)(=O)CCNC(=O)C(C)C(C)N
InChIInChI=1S/C9H20N2O3S/c1-4-15(13,14)6-5-11-9(12)7(2)8(3)10/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyIVMLCANLZUGPBW-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.48
Rot. Bonds6

About 3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide

3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide (PubChem CID 103581021) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide
PubChem CID103581021
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide
SMILESCCS(=O)(=O)CCNC(=O)C(C)C(C)N
InChIInChI=1S/C9H20N2O3S/c1-4-15(13,14)6-5-11-9(12)7(2)8(3)10/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyIVMLCANLZUGPBW-UHFFFAOYSA-N
XLogP-0.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide
CID 106337551
3-amino-N-(2-ethylsulfonylethyl)butanamide
CID 103810382
3-amino-2-methyl-N-propylsulfonylbutanamide
CID 103307653
5-amino-1-ethylsulfonyl-4-methylhexan-3-one
CID 106736924
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
2-amino-N-(2-ethylsulfonylethyl)-2-phenylacetamide
CID 113264121
3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide
CID 120500484
2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449
2-[(2-amino-3-methylpentanoyl)amino]ethanesulfonic acid
CID 23189977
3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide
CID 106255599
(2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 61179210
3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide
CID 106391137

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide?
The IUPAC name of 3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide (CID 103581021) is 3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide?
The canonical SMILES for 3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide is CCS(=O)(=O)CCNC(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide?
The InChIKey is IVMLCANLZUGPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-4-15(13,14)6-5-11-9(12)7(2)8(3)10/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide?
3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide has a molecular weight of 236.34 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide is sourced from PubChem (CID 103581021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).