2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide

C11H24N2O4S — CID 103827722

IUPAC2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide
SMILESCC(C)CC(O)CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-8(2)6-9(14)7-13-11(15)10(12)4-5-18(3,16)17/h8-10,14H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyQCJRIUIFJOXZDR-UHFFFAOYSA-N
MW280.39 g/mol
LogP-0.73
Rot. Bonds8

About 2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide

2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide (PubChem CID 103827722) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide
PubChem CID103827722
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide
SMILESCC(C)CC(O)CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-8(2)6-9(14)7-13-11(15)10(12)4-5-18(3,16)17/h8-10,14H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyQCJRIUIFJOXZDR-UHFFFAOYSA-N
XLogP-0.73
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide
CID 66168706
(3S)-3-[[(2-amino-4-methylsulfonylbutanoyl)amino]methyl]-5-methylhexanoic acid
CID 65494336
2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide
CID 54913489
2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
CID 66091622
2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
CID 102694855
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide
CID 103581045
2-[(2-amino-4-methylsulfonylbutanoyl)amino]-4-methylpentanoic acid
CID 61158997
(2R)-2-amino-N-(2-hydroxybutyl)-4-methylpentanamide
CID 104904032
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide
CID 43098583
(2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide
CID 119803206
2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 103827723

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide (CID 103827722) is 2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide is CC(C)CC(O)CNC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide?
The InChIKey is QCJRIUIFJOXZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-8(2)6-9(14)7-13-11(15)10(12)4-5-18(3,16)17/h8-10,14H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of 2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide?
2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide has a molecular weight of 280.39 g/mol, XLogP of -0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 103827722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).