CID 134796365

C20H27N3O5S — CID 134796365

IUPAC—
SMILESCc1ccc([S+](=O)([O-])N2CCC[C@@H]2C(=O)N2CCC(N3CCOC3=O)CC2)cc1
InChIInChI=1S/C20H27N3O5S/c1-15-4-6-17(7-5-15)29(26,27)23-10-2-3-18(23)19(24)21-11-8-16(9-12-21)22-13-14-28-20(22)25/h4-7,16,18H,2-3,8-14H2,1H3/t18-/m1/s1
InChIKeyIFJCMDSGNRPVIR-GOSISDBHSA-N
MW421.52 g/mol
LogP1.81
Rot. Bonds4

About CID 134796365

CID 134796365 (PubChem CID 134796365) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol.

Molecular Properties

Compound NameCID 134796365
PubChem CID134796365
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Name—
SMILESCc1ccc([S+](=O)([O-])N2CCC[C@@H]2C(=O)N2CCC(N3CCOC3=O)CC2)cc1
InChIInChI=1S/C20H27N3O5S/c1-15-4-6-17(7-5-15)29(26,27)23-10-2-3-18(23)19(24)21-11-8-16(9-12-21)22-13-14-28-20(22)25/h4-7,16,18H,2-3,8-14H2,1H3/t18-/m1/s1
InChIKeyIFJCMDSGNRPVIR-GOSISDBHSA-N
XLogP1.81
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 134797050
CID 134797050
3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710655
3-[1-(1-acetylpiperidine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134797018
3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134800449
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710651
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710659
3-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3573996
1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione
CID 3766535
3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710696
4-(2-oxo-1,3-oxazolidin-3-yl)-N-propylpiperidine-1-carboxamide
CID 110747077
3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3416894
3-[1-(3-fluorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710657

Frequently Asked Questions

What is the IUPAC name of CID 134796365?
The IUPAC name of CID 134796365 (CID 134796365) is not available.
What is the SMILES notation for CID 134796365?
The canonical SMILES for CID 134796365 is Cc1ccc([S+](=O)([O-])N2CCC[C@@H]2C(=O)N2CCC(N3CCOC3=O)CC2)cc1.
What is the InChIKey of CID 134796365?
The InChIKey is IFJCMDSGNRPVIR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-15-4-6-17(7-5-15)29(26,27)23-10-2-3-18(23)19(24)21-11-8-16(9-12-21)22-13-14-28-20(22)25/h4-7,16,18H,2-3,8-14H2,1H3/t18-/m1/s1.
What are the key properties of CID 134796365?
CID 134796365 has a molecular weight of 421.52 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134796365 is sourced from PubChem (CID 134796365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).