2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

C14H21N3OS — CID 5331773

IUPAC2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(CN1CCCCCCC1)N/N=C/c1cccs1
InChIInChI=1S/C14H21N3OS/c18-14(16-15-11-13-7-6-10-19-13)12-17-8-4-2-1-3-5-9-17/h6-7,10-11H,1-5,8-9,12H2,(H,16,18)/b15-11+
InChIKeyKWYGOCDHRZFXMB-RVDMUPIBSA-N
MW279.41 g/mol
LogP2.46
Rot. Bonds4

About 2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 5331773) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID5331773
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(CN1CCCCCCC1)N/N=C/c1cccs1
InChIInChI=1S/C14H21N3OS/c18-14(16-15-11-13-7-6-10-19-13)12-17-8-4-2-1-3-5-9-17/h6-7,10-11H,1-5,8-9,12H2,(H,16,18)/b15-11+
InChIKeyKWYGOCDHRZFXMB-RVDMUPIBSA-N
XLogP2.46
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.46
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

2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 15703243
N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid
CID 5426518
2-(azepan-1-yl)-N-[(E)-(2-bromophenyl)methylideneamino]acetamide
CID 6894512
2-(azepan-1-yl)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 786204
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 786240
2-(azocan-1-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 6894538
2-(azepan-1-yl)-N-[(3-bromophenyl)methylideneamino]acetamide
CID 791925
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide
CID 5407176
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005
N-(thiophen-2-ylmethylideneamino)octadecanamide
CID 75087356

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (CID 5331773) is 2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is O=C(CN1CCCCCCC1)N/N=C/c1cccs1.
What is the InChIKey of 2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is KWYGOCDHRZFXMB-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H21N3OS/c18-14(16-15-11-13-7-6-10-19-13)12-17-8-4-2-1-3-5-9-17/h6-7,10-11H,1-5,8-9,12H2,(H,16,18)/b15-11+.
What are the key properties of 2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 279.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5331773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).