N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide

C14H26N4OS — CID 111030658

IUPACN'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CCCN1CCCCCC1=O)N1CCSCC1
InChIInChI=1S/C14H26N4OS/c15-14(18-9-11-20-12-10-18)16-6-4-8-17-7-3-1-2-5-13(17)19/h1-12H2,(H2,15,16)
InChIKeyZXKVHZVRGBUWGE-UHFFFAOYSA-N
MW298.46 g/mol
LogP1.14
Rot. Bonds4

About N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide

N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide (PubChem CID 111030658) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide
PubChem CID111030658
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC NameN'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CCCN1CCCCCC1=O)N1CCSCC1
InChIInChI=1S/C14H26N4OS/c15-14(18-9-11-20-12-10-18)16-6-4-8-17-7-3-1-2-5-13(17)19/h1-12H2,(H2,15,16)
InChIKeyZXKVHZVRGBUWGE-UHFFFAOYSA-N
XLogP1.14
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide 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-(4-chlorophenyl)-N'-[3-(2-oxoazepan-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111030659
N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111809661
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
4-(2-oxoazepan-1-yl)butanamide
CID 90945049
N'-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111023136
4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111023124
1-butyl-2-[3-(2-oxoazepan-1-yl)propyl]guanidine;hydroiodide
CID 111030605
N'-[3-(4-methyl-1,4-diazepan-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111091688
N'-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111080490
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide
CID 111040296
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide (CID 111030658) is N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide is N/C(=N\CCCN1CCCCCC1=O)N1CCSCC1.
What is the InChIKey of N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide?
The InChIKey is ZXKVHZVRGBUWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c15-14(18-9-11-20-12-10-18)16-6-4-8-17-7-3-1-2-5-13(17)19/h1-12H2,(H2,15,16).
What are the key properties of N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide?
N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide has a molecular weight of 298.46 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-oxoazepan-1-yl)propyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111030658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).