N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C20H27N3O3S — CID 40601128

IUPACN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C\[C@H]3CC=CCC3)CC2)cc1
InChIInChI=1S/C20H27N3O3S/c1-16-7-9-19(10-8-16)27(25,26)23-13-11-18(12-14-23)20(24)22-21-15-17-5-3-2-4-6-17/h2-3,7-10,15,17-18H,4-6,11-14H2,1H3,(H,22,24)/b21-15-/t17-/m0/s1
InChIKeyPZPVIIZLHMWVOJ-SZHLLGMXSA-N
MW389.52 g/mol
LogP2.85
Rot. Bonds5

About N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 40601128) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID40601128
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C\[C@H]3CC=CCC3)CC2)cc1
InChIInChI=1S/C20H27N3O3S/c1-16-7-9-19(10-8-16)27(25,26)23-13-11-18(12-14-23)20(24)22-21-15-17-5-3-2-4-6-17/h2-3,7-10,15,17-18H,4-6,11-14H2,1H3,(H,22,24)/b21-15-/t17-/m0/s1
InChIKeyPZPVIIZLHMWVOJ-SZHLLGMXSA-N
XLogP2.85
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
1-(4-methylphenyl)sulfonyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]piperidine-4-carboxamide
CID 8900427
1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrrol-2-yl)methylideneamino]piperidine-4-carboxamide
CID 53356587
N-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 5216913
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46495512
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 6283209
N-(1,3-benzodioxol-5-ylmethylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1035452
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 136863496
1-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 1077687
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
N-(3-hydroxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 3152303

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 40601128) is N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C\[C@H]3CC=CCC3)CC2)cc1.
What is the InChIKey of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is PZPVIIZLHMWVOJ-SZHLLGMXSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-16-7-9-19(10-8-16)27(25,26)23-13-11-18(12-14-23)20(24)22-21-15-17-5-3-2-4-6-17/h2-3,7-10,15,17-18H,4-6,11-14H2,1H3,(H,22,24)/b21-15-/t17-/m0/s1.
What are the key properties of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 40601128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).