CID 169240147

C20H24N2OSSi+ — CID 169240147

IUPAC—
SMILESC[Si+]NC1CCCN(C(=O)C2CC2c2sccc2-c2ccccc2)C1
InChIInChI=1S/C20H24N2OSSi/c1-25-21-15-8-5-10-22(13-15)20(23)18-12-17(18)19-16(9-11-24-19)14-6-3-2-4-7-14/h2-4,6-7,9,11,15,17-18,21H,5,8,10,12-13H2,1H3/q+1
InChIKeyUNOYDKUDBQHDGR-UHFFFAOYSA-N
MW368.58 g/mol
LogP3.77
Rot. Bonds5

About CID 169240147

CID 169240147 (PubChem CID 169240147) has the molecular formula C20H24N2OSSi+ and a molecular weight of 368.58 g/mol.

Molecular Properties

Compound NameCID 169240147
PubChem CID169240147
Molecular FormulaC20H24N2OSSi+
Molecular Weight368.58 g/mol
Exact Mass368.14
IUPAC Name—
SMILESC[Si+]NC1CCCN(C(=O)C2CC2c2sccc2-c2ccccc2)C1
InChIInChI=1S/C20H24N2OSSi/c1-25-21-15-8-5-10-22(13-15)20(23)18-12-17(18)19-16(9-11-24-19)14-6-3-2-4-7-14/h2-4,6-7,9,11,15,17-18,21H,5,8,10,12-13H2,1H3/q+1
InChIKeyUNOYDKUDBQHDGR-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.58
LogP ≤ 53.77
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

N-[(3S)-1-[(1S,2S)-2-(2-phenylphenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176849179
[2-(2-fluoro-6-phenylphenyl)cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone
CID 169239911
N-[(4S)-1-[(1R,2R)-2-(2-phenylthiophen-3-yl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176848284
N-[1-[2-[2-(4-methylphenyl)phenyl]cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176848633
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507
[2-[2-(3,5-difluorophenyl)phenyl]cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone
CID 169240140
[2-[3-(difluoromethyl)-2-phenylphenyl]cyclopropyl]-[3-(methylsulfanylamino)piperidin-1-yl]methanone
CID 169240184
N-[(3S)-1-[(1R,2R)-2-(4-fluoro-3-methyl-2-phenylphenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176848935
(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 78971302
1-[(1S,2S)-2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 124698267
[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489930
N-[1-[2-(2-methyl-6-phenylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176848561

Frequently Asked Questions

What is the IUPAC name of CID 169240147?
The IUPAC name of CID 169240147 (CID 169240147) is not available.
What is the SMILES notation for CID 169240147?
The canonical SMILES for CID 169240147 is C[Si+]NC1CCCN(C(=O)C2CC2c2sccc2-c2ccccc2)C1.
What is the InChIKey of CID 169240147?
The InChIKey is UNOYDKUDBQHDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OSSi/c1-25-21-15-8-5-10-22(13-15)20(23)18-12-17(18)19-16(9-11-24-19)14-6-3-2-4-7-14/h2-4,6-7,9,11,15,17-18,21H,5,8,10,12-13H2,1H3/q+1.
What are the key properties of CID 169240147?
CID 169240147 has a molecular weight of 368.58 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169240147 is sourced from PubChem (CID 169240147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).