(2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide

C13H27NO2SSi — CID 23630322

IUPAC(2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide
SMILESCC(=O)C[C@@H](CS)C(=O)NCCCC[Si](C)(C)C
InChIInChI=1S/C13H27NO2SSi/c1-11(15)9-12(10-17)13(16)14-7-5-6-8-18(2,3)4/h12,17H,5-10H2,1-4H3,(H,14,16)/t12-/m0/s1
InChIKeyPHJRATRQZDHNJR-LBPRGKRZSA-N
MW289.52 g/mol
LogP2.75
Rot. Bonds9

About (2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide

(2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide (PubChem CID 23630322) has the molecular formula C13H27NO2SSi and a molecular weight of 289.52 g/mol. Its IUPAC name is (2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide.

Molecular Properties

Compound Name(2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide
PubChem CID23630322
Molecular FormulaC13H27NO2SSi
Molecular Weight289.52 g/mol
Exact Mass289.15
IUPAC Name(2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide
SMILESCC(=O)C[C@@H](CS)C(=O)NCCCC[Si](C)(C)C
InChIInChI=1S/C13H27NO2SSi/c1-11(15)9-12(10-17)13(16)14-7-5-6-8-18(2,3)4/h12,17H,5-10H2,1-4H3,(H,14,16)/t12-/m0/s1
InChIKeyPHJRATRQZDHNJR-LBPRGKRZSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.52
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-oxo-2-(sulfanylmethyl)-N-(7-trimethylsilylheptyl)pentanamide
CID 23630328
(2R)-N-[2-[(4-chlorophenyl)-dimethylsilyl]ethyl]-4-oxo-2-(sulfanylmethyl)pentanamide
CID 23630364
2-ethyl-N-(6-oxoheptyl)butanamide
CID 130267698
1-(3-trimethylsilylpropylamino)propan-2-one
CID 175115112
(2S)-2-methyl-N-[(15S)-15-methyl-14,17-dioxooctadecyl]-4-oxopentanamide
CID 158588824
1-N,2-N,3-N-tris(2-sulfanylethyl)propane-1,2,3-tricarboxamide
CID 10132786
(2R,5S)-5-amino-N-[(15S)-15-[[(2S)-2-amino-4-oxopentanoyl]amino]-14,17-dioxooctadecyl]-4,7-dioxo-2-(2-oxopropyl)octanamide
CID 157433511
CID 58386233
CID 58386233
3-[(2-benzyl-3-sulfanylpropanoyl)amino]propane-1-sulfonic acid
CID 15120721
[1-(dodecylamino)-1-oxo-3-sulfanylpropan-2-yl]azanium
CID 177260076
6-trimethylsilyl-N-(3-trimethylsilylpropyl)hexan-1-amine
CID 158108196
N-octadecyl-2-octylicosanamide
CID 154636535

Frequently Asked Questions

What is the IUPAC name of (2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide?
The IUPAC name of (2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide (CID 23630322) is (2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide.
What is the SMILES notation for (2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide?
The canonical SMILES for (2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide is CC(=O)C[C@@H](CS)C(=O)NCCCC[Si](C)(C)C.
What is the InChIKey of (2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide?
The InChIKey is PHJRATRQZDHNJR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27NO2SSi/c1-11(15)9-12(10-17)13(16)14-7-5-6-8-18(2,3)4/h12,17H,5-10H2,1-4H3,(H,14,16)/t12-/m0/s1.
What are the key properties of (2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide?
(2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide has a molecular weight of 289.52 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide is sourced from PubChem (CID 23630322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).