4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide

C10H22N2O3S — CID 103810364

IUPAC4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide
SMILESCCS(=O)(=O)CCNC(=O)CCC(C)(C)N
InChIInChI=1S/C10H22N2O3S/c1-4-16(14,15)8-7-12-9(13)5-6-10(2,3)11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyPDJJVIDJKKUDJH-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.05
Rot. Bonds7

About 4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide

4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide (PubChem CID 103810364) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide
PubChem CID103810364
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide
SMILESCCS(=O)(=O)CCNC(=O)CCC(C)(C)N
InChIInChI=1S/C10H22N2O3S/c1-4-16(14,15)8-7-12-9(13)5-6-10(2,3)11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyPDJJVIDJKKUDJH-UHFFFAOYSA-N
XLogP0.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-hydroxyethyl)-4-methylpentanamide;oxalic acid
CID 88516953
3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide
CID 106336943
4-amino-N-[2-[ethyl(propyl)amino]ethyl]-4-methylpentanamide
CID 103814940
3-amino-N-(2-ethylsulfonylethyl)butanamide
CID 103810382
4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 106310917
4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide
CID 103812548
4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide
CID 112701724
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide
CID 79401456
2-(ethylamino)-N-(2-ethylsulfonylethyl)acetamide
CID 103810362
4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide
CID 106398026
4-amino-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentanamide
CID 115740935
4-[3-(2-ethylsulfonylethylamino)-3-oxopropyl]benzoic acid
CID 119184166

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide?
The IUPAC name of 4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide (CID 103810364) is 4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide?
The canonical SMILES for 4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide is CCS(=O)(=O)CCNC(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide?
The InChIKey is PDJJVIDJKKUDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-4-16(14,15)8-7-12-9(13)5-6-10(2,3)11/h4-8,11H2,1-3H3,(H,12,13).
What are the key properties of 4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide?
4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide has a molecular weight of 250.36 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide is sourced from PubChem (CID 103810364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).