(2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide

C11H24N2O4S — CID 119803206

IUPAC(2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCOCCS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-9(2)8-10(12)11(14)13-4-5-17-6-7-18(3,15)16/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyKQJVEDKTCCIGCW-JTQLQIEISA-N
MW280.39 g/mol
LogP-0.46
Rot. Bonds9

About (2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide

(2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide (PubChem CID 119803206) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide
PubChem CID119803206
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name(2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCOCCS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-9(2)8-10(12)11(14)13-4-5-17-6-7-18(3,15)16/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyKQJVEDKTCCIGCW-JTQLQIEISA-N
XLogP-0.46
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 104904081
2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide
CID 103950985
2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide
CID 103827722
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119695009
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea
CID 142391829
(2S)-2-amino-4-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 61275418
2-amino-4-methyl-N-[2-[2-[2-[4-(2-methylprop-2-enoylamino)butylamino]-2-oxoethoxy]ethoxy]ethyl]pentanamide
CID 163793163
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
CID 79023015
2-amino-N-[2-(2-hydroxyethoxy)ethyl]butanamide
CID 61273537

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide (CID 119803206) is (2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide is CC(C)C[C@H](N)C(=O)NCCOCCS(C)(=O)=O.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide?
The InChIKey is KQJVEDKTCCIGCW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-9(2)8-10(12)11(14)13-4-5-17-6-7-18(3,15)16/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide?
(2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide has a molecular weight of 280.39 g/mol, XLogP of -0.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide is sourced from PubChem (CID 119803206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).