tert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium

C24H32N2O3S — CID 174694229

IUPACtert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium
SMILESCC1(c2ccccc2)CC(N[S+]([O-])C(C)(C)C)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C24H32N2O3S/c1-23(2,3)30(28)25-21-15-16-26(22(27)29-18-19-11-7-5-8-12-19)24(4,17-21)20-13-9-6-10-14-20/h5-14,21,25H,15-18H2,1-4H3
InChIKeyGJKQZUGJYRQALO-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.75
Rot. Bonds5

About tert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium

tert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium (PubChem CID 174694229) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is tert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium.

Molecular Properties

Compound Nametert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium
PubChem CID174694229
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Nametert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium
SMILESCC1(c2ccccc2)CC(N[S+]([O-])C(C)(C)C)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C24H32N2O3S/c1-23(2,3)30(28)25-21-15-16-26(22(27)29-18-19-11-7-5-8-12-19)24(4,17-21)20-13-9-6-10-14-20/h5-14,21,25H,15-18H2,1-4H3
InChIKeyGJKQZUGJYRQALO-UHFFFAOYSA-N
XLogP4.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(benzylamino)-2-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 90811626
benzyl 5-hydroxy-2,2-dimethylazepane-1-carboxylate
CID 118230382
2-O-benzyl 1-O-methyl (1S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2-azabicyclo[4.1.0]heptane-1,2-dicarboxylate
CID 56849516
benzyl 5-oxo-6a-propan-2-yl-3,3a,4,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
CID 70293165
1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate
CID 102450732
1-O-benzyl 2-O-tert-butyl (2S)-2-phenylazetidine-1,2-dicarboxylate
CID 102450733
benzyl (2S)-2-methyl-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate
CID 24777003
benzyl (4S)-4-[[(R)-tert-butylsulfinyl]amino]azepane-1-carboxylate
CID 57463511
benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl 1-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 11345626

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium?
The IUPAC name of tert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium (CID 174694229) is tert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium.
What is the SMILES notation for tert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium?
The canonical SMILES for tert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium is CC1(c2ccccc2)CC(N[S+]([O-])C(C)(C)C)CCN1C(=O)OCc1ccccc1.
What is the InChIKey of tert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium?
The InChIKey is GJKQZUGJYRQALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-23(2,3)30(28)25-21-15-16-26(22(27)29-18-19-11-7-5-8-12-19)24(4,17-21)20-13-9-6-10-14-20/h5-14,21,25H,15-18H2,1-4H3.
What are the key properties of tert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium?
tert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium has a molecular weight of 428.60 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2-methyl-2-phenyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-oxidosulfanium is sourced from PubChem (CID 174694229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).