(2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate

C19H26N2O2SSi — CID 11036139

IUPAC(2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1c([Si](C)(C)C)ccnc1Sc1ccccc1
InChIInChI=1S/C19H26N2O2SSi/c1-6-21(7-2)19(22)23-17-16(25(3,4)5)13-14-20-18(17)24-15-11-9-8-10-12-15/h8-14H,6-7H2,1-5H3
InChIKeyFBKMMVAFIWMYDK-UHFFFAOYSA-N
MW374.58 g/mol
LogP4.62
Rot. Bonds6

About (2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate

(2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate (PubChem CID 11036139) has the molecular formula C19H26N2O2SSi and a molecular weight of 374.58 g/mol. Its IUPAC name is (2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate
PubChem CID11036139
Molecular FormulaC19H26N2O2SSi
Molecular Weight374.58 g/mol
Exact Mass374.15
IUPAC Name(2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1c([Si](C)(C)C)ccnc1Sc1ccccc1
InChIInChI=1S/C19H26N2O2SSi/c1-6-21(7-2)19(22)23-17-16(25(3,4)5)13-14-20-18(17)24-15-11-9-8-10-12-15/h8-14H,6-7H2,1-5H3
InChIKeyFBKMMVAFIWMYDK-UHFFFAOYSA-N
XLogP4.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate?
The IUPAC name of (2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate (CID 11036139) is (2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate.
What is the SMILES notation for (2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate?
The canonical SMILES for (2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1c([Si](C)(C)C)ccnc1Sc1ccccc1.
What is the InChIKey of (2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate?
The InChIKey is FBKMMVAFIWMYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2SSi/c1-6-21(7-2)19(22)23-17-16(25(3,4)5)13-14-20-18(17)24-15-11-9-8-10-12-15/h8-14H,6-7H2,1-5H3.
What are the key properties of (2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate?
(2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate has a molecular weight of 374.58 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylsulfanyl-4-trimethylsilyl-3-pyridinyl) N,N-diethylcarbamate is sourced from PubChem (CID 11036139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).