(2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide

C11H24N2O3S — CID 22853555

IUPAC(2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide
SMILESCCCCCCNC(C)=O.N[C@@H](CS)C(=O)O
InChIInChI=1S/C8H17NO.C3H7NO2S/c1-3-4-5-6-7-9-8(2)10;4-2(1-7)3(5)6/h3-7H2,1-2H3,(H,9,10);2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1
InChIKeyYOOGEKUJLCAUOC-WNQIDUERSA-N
MW264.39 g/mol
LogP1.03
Rot. Bonds7

About (2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide

(2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide (PubChem CID 22853555) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is (2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide
PubChem CID22853555
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name(2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide
SMILESCCCCCCNC(C)=O.N[C@@H](CS)C(=O)O
InChIInChI=1S/C8H17NO.C3H7NO2S/c1-3-4-5-6-7-9-8(2)10;4-2(1-7)3(5)6/h3-7H2,1-2H3,(H,9,10);2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1
InChIKeyYOOGEKUJLCAUOC-WNQIDUERSA-N
XLogP1.03
TPSA92.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-sulfanylpropanoic acid;hexane
CID 175251552
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452
(2S)-2-amino-4-(octylamino)-4-oxobutanoic acid
CID 167206588
(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
CID 15825732
N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide
CID 58435545
2-amino-3-sulfanylpropanoic acid;propane-1-thiol
CID 89239832
(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid
CID 51356146
2-(3-acetamidopropyl)dodecanoic acid
CID 21259261
2-amino-6-[6-(hexadecanoylamino)hexanoylamino]hexanoic acid
CID 174208894
(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid
CID 6454263

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide?
The IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide (CID 22853555) is (2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide.
What is the SMILES notation for (2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide?
The canonical SMILES for (2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide is CCCCCCNC(C)=O.N[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide?
The InChIKey is YOOGEKUJLCAUOC-WNQIDUERSA-N. The full InChI is InChI=1S/C8H17NO.C3H7NO2S/c1-3-4-5-6-7-9-8(2)10;4-2(1-7)3(5)6/h3-7H2,1-2H3,(H,9,10);2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide?
(2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide has a molecular weight of 264.39 g/mol, XLogP of 1.03, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-sulfanylpropanoic acid;N-hexylacetamide is sourced from PubChem (CID 22853555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).