2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide

C15H32N2O5SSi — CID 58903348

IUPAC2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide
SMILESCCO[Si](CCCNC(=O)CNC(=O)C(C)SC)(OCC)OCC
InChIInChI=1S/C15H32N2O5SSi/c1-6-20-24(21-7-2,22-8-3)11-9-10-16-14(18)12-17-15(19)13(4)23-5/h13H,6-12H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyCVMPZUUGSMDUFP-UHFFFAOYSA-N
MW380.58 g/mol
LogP1.41
Rot. Bonds14

About 2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide

2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide (PubChem CID 58903348) has the molecular formula C15H32N2O5SSi and a molecular weight of 380.58 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide
PubChem CID58903348
Molecular FormulaC15H32N2O5SSi
Molecular Weight380.58 g/mol
Exact Mass380.18
IUPAC Name2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide
SMILESCCO[Si](CCCNC(=O)CNC(=O)C(C)SC)(OCC)OCC
InChIInChI=1S/C15H32N2O5SSi/c1-6-20-24(21-7-2,22-8-3)11-9-10-16-14(18)12-17-15(19)13(4)23-5/h13H,6-12H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyCVMPZUUGSMDUFP-UHFFFAOYSA-N
XLogP1.41
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
2,3-bis[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]butanedioic acid
CID 174032180
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
N-(3-triethoxysilylpropyl)hexanamide
CID 71321496
[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
CID 123219063
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-(3-triethoxysilylpropyl)acetamide
CID 71617959
2-methylsulfanyl-N-propylpropanamide
CID 131085433
2-acetamido-N-(3-trimethoxysilylpropyl)acetamide
CID 87064791
silane;3-triethoxysilylpropylurea
CID 161180470
[3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate
CID 59582714

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide?
The IUPAC name of 2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide (CID 58903348) is 2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide.
What is the SMILES notation for 2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide?
The canonical SMILES for 2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide is CCO[Si](CCCNC(=O)CNC(=O)C(C)SC)(OCC)OCC.
What is the InChIKey of 2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide?
The InChIKey is CVMPZUUGSMDUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O5SSi/c1-6-20-24(21-7-2,22-8-3)11-9-10-16-14(18)12-17-15(19)13(4)23-5/h13H,6-12H2,1-5H3,(H,16,18)(H,17,19).
What are the key properties of 2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide?
2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide has a molecular weight of 380.58 g/mol, XLogP of 1.41, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide is sourced from PubChem (CID 58903348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).