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

C11H24N2O2S — CID 106247746

IUPAC4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
SMILESCSCC(C)(O)CNC(=O)CCC(C)(C)N
InChIInChI=1S/C11H24N2O2S/c1-10(2,12)6-5-9(14)13-7-11(3,15)8-16-4/h15H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyUWOKTBDTFMZYPA-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.73
Rot. Bonds7

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

4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide (PubChem CID 106247746) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
PubChem CID106247746
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
SMILESCSCC(C)(O)CNC(=O)CCC(C)(C)N
InChIInChI=1S/C11H24N2O2S/c1-10(2,12)6-5-9(14)13-7-11(3,15)8-16-4/h15H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyUWOKTBDTFMZYPA-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
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)pent-4-ynamide
CID 106741506
4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide
CID 103812548
3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247798
4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide
CID 106247749
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide
CID 106247834
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide
CID 106247600
2-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethoxy]acetic acid
CID 106244362
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide
CID 103522092
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide
CID 106247589
2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 106248558
5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106244340

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide (CID 106247746) is 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide is CSCC(C)(O)CNC(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide?
The InChIKey is UWOKTBDTFMZYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2,12)6-5-9(14)13-7-11(3,15)8-16-4/h15H,5-8,12H2,1-4H3,(H,13,14).
What are the key properties of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide?
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide has a molecular weight of 248.39 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide is sourced from PubChem (CID 106247746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).