2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide

C11H24N2O4S — CID 81102476

IUPAC2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
SMILESCOCCCC(N)C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-11(2,18(4,15)16)8-13-10(14)9(12)6-5-7-17-3/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyLWKQEGNVCVTYTG-UHFFFAOYSA-N
MW280.39 g/mol
LogP-0.32
Rot. Bonds8

About 2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide

2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide (PubChem CID 81102476) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
PubChem CID81102476
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
SMILESCOCCCC(N)C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-11(2,18(4,15)16)8-13-10(14)9(12)6-5-7-17-3/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyLWKQEGNVCVTYTG-UHFFFAOYSA-N
XLogP-0.32
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.32
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

2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide
CID 106148113
(2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide
CID 79549856
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
3-amino-4-[(2-methyl-2-methylsulfonylpropyl)amino]-4-oxobutanoic acid
CID 79550317
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065
2-amino-N-ethylsulfonyl-5-methoxypentanamide
CID 103307121
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide
CID 81081228
3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid
CID 81102712
2-amino-5-methoxy-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 81082635
(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79551034

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide (CID 81102476) is 2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide is COCCCC(N)C(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide?
The InChIKey is LWKQEGNVCVTYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-11(2,18(4,15)16)8-13-10(14)9(12)6-5-7-17-3/h9H,5-8,12H2,1-4H3,(H,13,14).
What are the key properties of 2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide?
2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide has a molecular weight of 280.39 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide is sourced from PubChem (CID 81102476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).