N-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide

C20H23N3O3S — CID 75362387

IUPACN-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N3O3S/c1-27(25,26)23-15-9-8-14-18(23)20(24)22-21-19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18H,8-9,14-15H2,1H3,(H,22,24)
InChIKeyLPJSFSJUSFACAI-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.37
Rot. Bonds5

About N-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide

N-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 75362387) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID75362387
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N3O3S/c1-27(25,26)23-15-9-8-14-18(23)20(24)22-21-19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18H,8-9,14-15H2,1H3,(H,22,24)
InChIKeyLPJSFSJUSFACAI-UHFFFAOYSA-N
XLogP2.37
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide
CID 24663164
(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 33249875
(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94624136
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692
1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide
CID 135647869
1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 17412915
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
N-(benzhydrylideneamino)oxolane-2-carboxamide
CID 134059313
1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 51240572
(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27444312
N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240591

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide (CID 75362387) is N-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide is CS(=O)(=O)N1CCCCC1C(=O)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is LPJSFSJUSFACAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-27(25,26)23-15-9-8-14-18(23)20(24)22-21-19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18H,8-9,14-15H2,1H3,(H,22,24).
What are the key properties of N-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide?
N-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 75362387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).