3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one

C18H25NOSSi — CID 57104968

IUPAC3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one
SMILESC[Si](C)(C)CCSC(CN)C(=O)c1cccc2ccccc12
InChIInChI=1S/C18H25NOSSi/c1-22(2,3)12-11-21-17(13-19)18(20)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17H,11-13,19H2,1-3H3
InChIKeyJMELJCHLFNYWHU-UHFFFAOYSA-N
MW331.56 g/mol
LogP4.42
Rot. Bonds7

About 3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one

3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one (PubChem CID 57104968) has the molecular formula C18H25NOSSi and a molecular weight of 331.56 g/mol. Its IUPAC name is 3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one
PubChem CID57104968
Molecular FormulaC18H25NOSSi
Molecular Weight331.56 g/mol
Exact Mass331.14
IUPAC Name3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one
SMILESC[Si](C)(C)CCSC(CN)C(=O)c1cccc2ccccc12
InChIInChI=1S/C18H25NOSSi/c1-22(2,3)12-11-21-17(13-19)18(20)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17H,11-13,19H2,1-3H3
InChIKeyJMELJCHLFNYWHU-UHFFFAOYSA-N
XLogP4.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methyl-1-naphthalen-1-ylbutan-1-one
CID 116595056
N-(1-aminopropan-2-yl)-N-methylnaphthalene-1-carboxamide
CID 112701394
(2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 173056322
methyl 2-methyl-3-naphthalen-1-yl-3-oxopropanoate
CID 62715188
2-methyl-1-naphthalen-1-yldecan-1-one
CID 90112033
2,2-diethoxy-1-naphthalen-1-ylethanone
CID 79495258
2-iodo-1-naphthalen-1-ylbutane-1,3-dione
CID 165350066
N-(2-amino-1-phenylethyl)naphthalene-1-carboxamide
CID 10424319
CID 129133768
CID 129133768
3-(1-carboxyethylsulfanylmethyl)-4-naphthalen-1-yl-4-oxobutanoic acid
CID 22466929
2-naphthalen-1-yl-2-oxoethane-1,1-disulfonic acid
CID 87145288
2-(hydroxymethyl)-1-naphthalen-1-ylbutan-1-one
CID 116923135

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one?
The IUPAC name of 3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one (CID 57104968) is 3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one.
What is the SMILES notation for 3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one?
The canonical SMILES for 3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one is C[Si](C)(C)CCSC(CN)C(=O)c1cccc2ccccc12.
What is the InChIKey of 3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one?
The InChIKey is JMELJCHLFNYWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOSSi/c1-22(2,3)12-11-21-17(13-19)18(20)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17H,11-13,19H2,1-3H3.
What are the key properties of 3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one?
3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one has a molecular weight of 331.56 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-naphthalen-1-yl-2-(2-trimethylsilylethylsulfanyl)propan-1-one is sourced from PubChem (CID 57104968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).