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

C9H20N2O4S — CID 65106167

IUPAC2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylsulfonylbutanamide
SMILESCC(C)(O)CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-9(2,13)6-11-8(12)7(10)4-5-16(3,14)15/h7,13H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyYOOIZDDHYHMBOW-UHFFFAOYSA-N
MW252.34 g/mol
LogP-1.36
Rot. Bonds6

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

2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylsulfonylbutanamide (PubChem CID 65106167) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylsulfonylbutanamide
PubChem CID65106167
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylsulfonylbutanamide
SMILESCC(C)(O)CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-9(2,13)6-11-8(12)7(10)4-5-16(3,14)15/h7,13H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyYOOIZDDHYHMBOW-UHFFFAOYSA-N
XLogP-1.36
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylsulfonylbutanamide (CID 65106167) is 2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylsulfonylbutanamide is CC(C)(O)CNC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylsulfonylbutanamide?
The InChIKey is YOOIZDDHYHMBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-9(2,13)6-11-8(12)7(10)4-5-16(3,14)15/h7,13H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylsulfonylbutanamide?
2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylsulfonylbutanamide has a molecular weight of 252.34 g/mol, XLogP of -1.36, 6 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-2-methylpropyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 65106167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).