N-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide

C13H21NOSSi — CID 87785224

IUPACN-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide
SMILESC[Si](C)(CCNC(=O)CCS)c1ccccc1
InChIInChI=1S/C13H21NOSSi/c1-17(2,12-6-4-3-5-7-12)11-9-14-13(15)8-10-16/h3-7,16H,8-11H2,1-2H3,(H,14,15)
InChIKeyDJPRVRBEQLXSQL-UHFFFAOYSA-N
MW267.47 g/mol
LogP2.04
Rot. Bonds6

About N-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide

N-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide (PubChem CID 87785224) has the molecular formula C13H21NOSSi and a molecular weight of 267.47 g/mol. Its IUPAC name is N-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide
PubChem CID87785224
Molecular FormulaC13H21NOSSi
Molecular Weight267.47 g/mol
Exact Mass267.11
IUPAC NameN-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide
SMILESC[Si](C)(CCNC(=O)CCS)c1ccccc1
InChIInChI=1S/C13H21NOSSi/c1-17(2,12-6-4-3-5-7-12)11-9-14-13(15)8-10-16/h3-7,16H,8-11H2,1-2H3,(H,14,15)
InChIKeyDJPRVRBEQLXSQL-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide (CID 87785224) is N-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide is C[Si](C)(CCNC(=O)CCS)c1ccccc1.
What is the InChIKey of N-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide?
The InChIKey is DJPRVRBEQLXSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOSSi/c1-17(2,12-6-4-3-5-7-12)11-9-14-13(15)8-10-16/h3-7,16H,8-11H2,1-2H3,(H,14,15).
What are the key properties of N-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide?
N-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide has a molecular weight of 267.47 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 87785224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).