CID 134794165

C20H25N3O2S — CID 134794165

IUPAC—
SMILESCc1ccc(CN2CCC3(CC2)CNc2ccccc2[S+](=O)([O-])N3)cc1
InChIInChI=1S/C20H25N3O2S/c1-16-6-8-17(9-7-16)14-23-12-10-20(11-13-23)15-21-18-4-2-3-5-19(18)26(24,25)22-20/h2-9,21H,10-15H2,1H3,(H-,22,24,25)
InChIKeyUYOSOWRIXARGKY-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.95
Rot. Bonds2

About CID 134794165

CID 134794165 (PubChem CID 134794165) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol.

Molecular Properties

Compound NameCID 134794165
PubChem CID134794165
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name—
SMILESCc1ccc(CN2CCC3(CC2)CNc2ccccc2[S+](=O)([O-])N3)cc1
InChIInChI=1S/C20H25N3O2S/c1-16-6-8-17(9-7-16)14-23-12-10-20(11-13-23)15-21-18-4-2-3-5-19(18)26(24,25)22-20/h2-9,21H,10-15H2,1H3,(H-,22,24,25)
InChIKeyUYOSOWRIXARGKY-UHFFFAOYSA-N
XLogP2.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 134793474
CID 134793474
CID 134792210
CID 134792210
CID 134792088
CID 134792088
CID 134793011
CID 134793011
CID 134794919
CID 134794919
3-[(4-fluorophenyl)methyl]-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 97370656
CID 134793012
CID 134793012
CID 134789278
CID 134789278
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
[4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol
CID 117012093
1-benzyl-4-methylpiperidin-4-ol
CID 10845913

Frequently Asked Questions

What is the IUPAC name of CID 134794165?
The IUPAC name of CID 134794165 (CID 134794165) is not available.
What is the SMILES notation for CID 134794165?
The canonical SMILES for CID 134794165 is Cc1ccc(CN2CCC3(CC2)CNc2ccccc2[S+](=O)([O-])N3)cc1.
What is the InChIKey of CID 134794165?
The InChIKey is UYOSOWRIXARGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-16-6-8-17(9-7-16)14-23-12-10-20(11-13-23)15-21-18-4-2-3-5-19(18)26(24,25)22-20/h2-9,21H,10-15H2,1H3,(H-,22,24,25).
What are the key properties of CID 134794165?
CID 134794165 has a molecular weight of 371.51 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134794165 is sourced from PubChem (CID 134794165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).