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

C10H22N2O4S — CID 66091622

IUPAC2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
SMILESCC(CCO)CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-8(3-5-13)7-12-10(14)9(11)4-6-17(2,15)16/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyAGSNSDZOQIYTPC-UHFFFAOYSA-N
MW266.36 g/mol
LogP-1.12
Rot. Bonds8

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

2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide (PubChem CID 66091622) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
PubChem CID66091622
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
SMILESCC(CCO)CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-8(3-5-13)7-12-10(14)9(11)4-6-17(2,15)16/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyAGSNSDZOQIYTPC-UHFFFAOYSA-N
XLogP-1.12
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 107569995
2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide
CID 66168706
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide
CID 107145862
2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide
CID 83178040
N-(4-hydroxy-2-methylbutyl)-3-methylsulfonylpropanamide
CID 66107104
2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide
CID 54913489
2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
CID 102694855
2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide
CID 103827722
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide
CID 81102467
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methylbutanamide
CID 66090902
2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide
CID 119956068

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide (CID 66091622) is 2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide is CC(CCO)CNC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide?
The InChIKey is AGSNSDZOQIYTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-8(3-5-13)7-12-10(14)9(11)4-6-17(2,15)16/h8-9,13H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide?
2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide has a molecular weight of 266.36 g/mol, XLogP of -1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 66091622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).