CID 134798320

C19H27N3O5S2 — CID 134798320

IUPAC—
SMILESO=C(C1CCCN([S+](=O)([O-])c2cccs2)C1)N1CCC(N2CCOCC2=O)CC1
InChIInChI=1S/C19H27N3O5S2/c23-17-14-27-11-10-22(17)16-5-8-20(9-6-16)19(24)15-3-1-7-21(13-15)29(25,26)18-4-2-12-28-18/h2,4,12,15-16H,1,3,5-11,13-14H2
InChIKeyRPLOXUMWHTYNGB-UHFFFAOYSA-N
MW441.58 g/mol
LogP1.21
Rot. Bonds4

About CID 134798320

CID 134798320 (PubChem CID 134798320) has the molecular formula C19H27N3O5S2 and a molecular weight of 441.58 g/mol.

Molecular Properties

Compound NameCID 134798320
PubChem CID134798320
Molecular FormulaC19H27N3O5S2
Molecular Weight441.58 g/mol
Exact Mass441.14
IUPAC Name—
SMILESO=C(C1CCCN([S+](=O)([O-])c2cccs2)C1)N1CCC(N2CCOCC2=O)CC1
InChIInChI=1S/C19H27N3O5S2/c23-17-14-27-11-10-22(17)16-5-8-20(9-6-16)19(24)15-3-1-7-21(13-15)29(25,26)18-4-2-12-28-18/h2,4,12,15-16H,1,3,5-11,13-14H2
InChIKeyRPLOXUMWHTYNGB-UHFFFAOYSA-N
XLogP1.21
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 134796825
CID 134796825
4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one
CID 134797710
4-[1-[1-(4-methylbenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one
CID 134797290
CID 134797681
CID 134797681
3-[1-(1-acetylpiperidine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134797018
CID 134797050
CID 134797050
CID 134796365
CID 134796365
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710651
CID 134786969
CID 134786969
3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710696
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione
CID 3766535

Frequently Asked Questions

What is the IUPAC name of CID 134798320?
The IUPAC name of CID 134798320 (CID 134798320) is not available.
What is the SMILES notation for CID 134798320?
The canonical SMILES for CID 134798320 is O=C(C1CCCN([S+](=O)([O-])c2cccs2)C1)N1CCC(N2CCOCC2=O)CC1.
What is the InChIKey of CID 134798320?
The InChIKey is RPLOXUMWHTYNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S2/c23-17-14-27-11-10-22(17)16-5-8-20(9-6-16)19(24)15-3-1-7-21(13-15)29(25,26)18-4-2-12-28-18/h2,4,12,15-16H,1,3,5-11,13-14H2.
What are the key properties of CID 134798320?
CID 134798320 has a molecular weight of 441.58 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134798320 is sourced from PubChem (CID 134798320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).