3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide

C11H24N2O2S — CID 106247798

IUPAC3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
SMILESCSCC(C)(O)CNC(=O)CC(N)C(C)C
InChIInChI=1S/C11H24N2O2S/c1-8(2)9(12)5-10(14)13-6-11(3,15)7-16-4/h8-9,15H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyVSHMYXFUSVQITK-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.59
Rot. Bonds7

About 3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide

3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide (PubChem CID 106247798) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
PubChem CID106247798
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
SMILESCSCC(C)(O)CNC(=O)CC(N)C(C)C
InChIInChI=1S/C11H24N2O2S/c1-8(2)9(12)5-10(14)13-6-11(3,15)7-16-4/h8-9,15H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyVSHMYXFUSVQITK-UHFFFAOYSA-N
XLogP0.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide
CID 106247633
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide
CID 103522092
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292069
5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106244340
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide
CID 106247589
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247746
4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide
CID 106247749
2-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethoxy]acetic acid
CID 106244362
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide
CID 106741506
(2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide
CID 106247694
2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 106248558
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide
CID 106247844

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide?
The IUPAC name of 3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide (CID 106247798) is 3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide is CSCC(C)(O)CNC(=O)CC(N)C(C)C.
What is the InChIKey of 3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide?
The InChIKey is VSHMYXFUSVQITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-8(2)9(12)5-10(14)13-6-11(3,15)7-16-4/h8-9,15H,5-7,12H2,1-4H3,(H,13,14).
What are the key properties of 3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide?
3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide has a molecular weight of 248.39 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide is sourced from PubChem (CID 106247798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).