(2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide

C11H24N2O2S — CID 106247694

IUPAC(2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCC(C)(O)CSC
InChIInChI=1S/C11H24N2O2S/c1-4-5-6-9(12)10(14)13-7-11(2,15)8-16-3/h9,15H,4-8,12H2,1-3H3,(H,13,14)/t9-,11?/m0/s1
InChIKeySXUCEQLNXHTXCX-FTNKSUMCSA-N
MW248.39 g/mol
LogP0.73
Rot. Bonds8

About (2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide

(2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide (PubChem CID 106247694) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide
PubChem CID106247694
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name(2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCC(C)(O)CSC
InChIInChI=1S/C11H24N2O2S/c1-4-5-6-9(12)10(14)13-7-11(2,15)8-16-3/h9,15H,4-8,12H2,1-3H3,(H,13,14)/t9-,11?/m0/s1
InChIKeySXUCEQLNXHTXCX-FTNKSUMCSA-N
XLogP0.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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

Analyze (2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide
CID 106247844
2-amino-N-(2,2-dimethylbutyl)hexanamide
CID 103461638
methyl 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]hexanoate
CID 106248338
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide
CID 106247633
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003561
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
2-amino-N-hexylhexanamide
CID 60852762
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide
CID 106247688
(2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 103461634
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
2-amino-N-[2-(dimethylamino)propyl]hexanamide
CID 61043686

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide (CID 106247694) is (2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide is CCCC[C@H](N)C(=O)NCC(C)(O)CSC.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide?
The InChIKey is SXUCEQLNXHTXCX-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-5-6-9(12)10(14)13-7-11(2,15)8-16-3/h9,15H,4-8,12H2,1-3H3,(H,13,14)/t9-,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide?
(2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide has a molecular weight of 248.39 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide is sourced from PubChem (CID 106247694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).