(2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide

C20H42N2OS — CID 46231530

IUPAC(2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)[C@@H](N)CSC
InChIInChI=1S/C20H42N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20(23)19(21)18-24-2/h19H,3-18,21H2,1-2H3,(H,22,23)/t19-/m0/s1
InChIKeyKRFOKZINUCTKFT-IBGZPJMESA-N
MW358.64 g/mol
LogP5.27
Rot. Bonds18

About (2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide

(2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide (PubChem CID 46231530) has the molecular formula C20H42N2OS and a molecular weight of 358.64 g/mol. Its IUPAC name is (2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide
PubChem CID46231530
Molecular FormulaC20H42N2OS
Molecular Weight358.64 g/mol
Exact Mass358.30
IUPAC Name(2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)[C@@H](N)CSC
InChIInChI=1S/C20H42N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20(23)19(21)18-24-2/h19H,3-18,21H2,1-2H3,(H,22,23)/t19-/m0/s1
InChIKeyKRFOKZINUCTKFT-IBGZPJMESA-N
XLogP5.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide?
The IUPAC name of (2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide (CID 46231530) is (2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide?
The canonical SMILES for (2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide is CCCCCCCCCCCCCCCCNC(=O)[C@@H](N)CSC.
What is the InChIKey of (2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide?
The InChIKey is KRFOKZINUCTKFT-IBGZPJMESA-N. The full InChI is InChI=1S/C20H42N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20(23)19(21)18-24-2/h19H,3-18,21H2,1-2H3,(H,22,23)/t19-/m0/s1.
What are the key properties of (2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide?
(2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide has a molecular weight of 358.64 g/mol, XLogP of 5.27, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 46231530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).