N-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C15H17N3O3S3 — CID 6899945

IUPACN-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(N/N=C/c1cccs1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H17N3O3S3/c19-15(17-16-11-13-3-1-9-22-13)12-5-7-18(8-6-12)24(20,21)14-4-2-10-23-14/h1-4,9-12H,5-8H2,(H,17,19)/b16-11+
InChIKeyHNZIQKABLMVKHM-LFIBNONCSA-N
MW383.52 g/mol
LogP2.36
Rot. Bonds5

About N-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 6899945) has the molecular formula C15H17N3O3S3 and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID6899945
Molecular FormulaC15H17N3O3S3
Molecular Weight383.52 g/mol
Exact Mass383.04
IUPAC NameN-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(N/N=C/c1cccs1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H17N3O3S3/c19-15(17-16-11-13-3-1-9-22-13)12-5-7-18(8-6-12)24(20,21)14-4-2-10-23-14/h1-4,9-12H,5-8H2,(H,17,19)/b16-11+
InChIKeyHNZIQKABLMVKHM-LFIBNONCSA-N
XLogP2.36
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 6899945) is N-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(N/N=C/c1cccs1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is HNZIQKABLMVKHM-LFIBNONCSA-N. The full InChI is InChI=1S/C15H17N3O3S3/c19-15(17-16-11-13-3-1-9-22-13)12-5-7-18(8-6-12)24(20,21)14-4-2-10-23-14/h1-4,9-12H,5-8H2,(H,17,19)/b16-11+.
What are the key properties of N-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 6899945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).