3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide

C13H29N3O5SSi — CID 58903441

IUPAC3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide
SMILESCO[Si](CCCNC(=O)NCCNC(=O)CCSC)(OC)OC
InChIInChI=1S/C13H29N3O5SSi/c1-19-23(20-2,21-3)11-5-7-15-13(18)16-9-8-14-12(17)6-10-22-4/h5-11H2,1-4H3,(H,14,17)(H2,15,16,18)
InChIKeyKCHJPSGHUXHJHC-UHFFFAOYSA-N
MW367.54 g/mol
LogP0.42
Rot. Bonds13

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

3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide (PubChem CID 58903441) has the molecular formula C13H29N3O5SSi and a molecular weight of 367.54 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide
PubChem CID58903441
Molecular FormulaC13H29N3O5SSi
Molecular Weight367.54 g/mol
Exact Mass367.16
IUPAC Name3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide
SMILESCO[Si](CCCNC(=O)NCCNC(=O)CCSC)(OC)OC
InChIInChI=1S/C13H29N3O5SSi/c1-19-23(20-2,21-3)11-5-7-15-13(18)16-9-8-14-12(17)6-10-22-4/h5-11H2,1-4H3,(H,14,17)(H2,15,16,18)
InChIKeyKCHJPSGHUXHJHC-UHFFFAOYSA-N
XLogP0.42
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 50.42
H-Bond Donors ≤ 53
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

1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea
CID 58846540
N-(3-trimethoxysilylpropyl)tricosanamide
CID 175992989
N-(3-trimethoxysilylpropyl)octanamide
CID 71362207
N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide
CID 174034549
2-methoxy-N-(3-trimethoxysilylpropyl)acetamide
CID 102479159
3-methylsulfanyl-N-propylpropanamide
CID 60637635
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
3-methylsulfanyl-N-pent-4-ynylpropanamide
CID 103708752
N-(6-aminohexyl)-3-trimethoxysilylpropanamide
CID 59561256
2-acetamido-N-(3-trimethoxysilylpropyl)acetamide
CID 87064791
3-(3-trimethoxysilylpropyl)-1,1-bis[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]urea
CID 20743189
N-hex-5-ynyl-3-methylsulfanylpropanamide
CID 103757804

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide?
The IUPAC name of 3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide (CID 58903441) is 3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide?
The canonical SMILES for 3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide is CO[Si](CCCNC(=O)NCCNC(=O)CCSC)(OC)OC.
What is the InChIKey of 3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide?
The InChIKey is KCHJPSGHUXHJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O5SSi/c1-19-23(20-2,21-3)11-5-7-15-13(18)16-9-8-14-12(17)6-10-22-4/h5-11H2,1-4H3,(H,14,17)(H2,15,16,18).
What are the key properties of 3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide?
3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide has a molecular weight of 367.54 g/mol, XLogP of 0.42, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide is sourced from PubChem (CID 58903441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).