methyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate

C16H27NO2SSi — CID 71076616

IUPACmethyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(S[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C16H27NO2SSi/c1-11(2)21(12(3)4,13(5)6)20-15-10-14(8-9-17-15)16(18)19-7/h8-13H,1-7H3
InChIKeyWBZUZVUMCZEBCI-UHFFFAOYSA-N
MW325.55 g/mol
LogP5.14
Rot. Bonds6

About methyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate

methyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate (PubChem CID 71076616) has the molecular formula C16H27NO2SSi and a molecular weight of 325.55 g/mol. Its IUPAC name is methyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate
PubChem CID71076616
Molecular FormulaC16H27NO2SSi
Molecular Weight325.55 g/mol
Exact Mass325.15
IUPAC Namemethyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(S[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C16H27NO2SSi/c1-11(2)21(12(3)4,13(5)6)20-15-10-14(8-9-17-15)16(18)19-7/h8-13H,1-7H3
InChIKeyWBZUZVUMCZEBCI-UHFFFAOYSA-N
XLogP5.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.55
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-cyclopropylsulfanylpyridine-4-carboxylate
CID 163367692
methyl 2-(3,4-dichlorophenyl)sulfanylpyridine-4-carboxylate
CID 114075144
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate
CID 162911096
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237
methyl 2-(1-bromoethylcarbamoylamino)pyridine-4-carboxylate
CID 143854974
2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 83834716
methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate
CID 155292007
methyl 2-(4-pyrrolidin-1-ylphenyl)sulfanylpyridine-4-carboxylate
CID 168513404
methyl 2-[4-(2,3-dihydroxypropylamino)phenyl]sulfanylpyridine-4-carboxylate
CID 168596705

Frequently Asked Questions

What is the IUPAC name of methyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate?
The IUPAC name of methyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate (CID 71076616) is methyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate is COC(=O)c1ccnc(S[Si](C(C)C)(C(C)C)C(C)C)c1.
What is the InChIKey of methyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate?
The InChIKey is WBZUZVUMCZEBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2SSi/c1-11(2)21(12(3)4,13(5)6)20-15-10-14(8-9-17-15)16(18)19-7/h8-13H,1-7H3.
What are the key properties of methyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate?
methyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate has a molecular weight of 325.55 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tri(propan-2-yl)silylsulfanylpyridine-4-carboxylate is sourced from PubChem (CID 71076616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).