N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide

C17H32N4OS — CID 109487070

IUPACN-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide
SMILESCCN/C(=N\CCC(=O)NC1CCCC1)N1CCSC(CC)C1
InChIInChI=1S/C17H32N4OS/c1-3-15-13-21(11-12-23-15)17(18-4-2)19-10-9-16(22)20-14-7-5-6-8-14/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyWRBQYJBHPXCZHT-UHFFFAOYSA-N
MW340.54 g/mol
LogP2.23
Rot. Bonds6

About N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide

N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide (PubChem CID 109487070) has the molecular formula C17H32N4OS and a molecular weight of 340.54 g/mol. Its IUPAC name is N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide
PubChem CID109487070
Molecular FormulaC17H32N4OS
Molecular Weight340.54 g/mol
Exact Mass340.23
IUPAC NameN-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide
SMILESCCN/C(=N\CCC(=O)NC1CCCC1)N1CCSC(CC)C1
InChIInChI=1S/C17H32N4OS/c1-3-15-13-21(11-12-23-15)17(18-4-2)19-10-9-16(22)20-14-7-5-6-8-14/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyWRBQYJBHPXCZHT-UHFFFAOYSA-N
XLogP2.23
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109486921
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide
CID 109485254
N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide
CID 111144644
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide
CID 109489825
N-cyclopentyl-3-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]propanamide
CID 111736603
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486786
2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide
CID 109485909
N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485266
N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide
CID 111723766
N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485608
N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109486800

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide (CID 109487070) is N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide is CCN/C(=N\CCC(=O)NC1CCCC1)N1CCSC(CC)C1.
What is the InChIKey of N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide?
The InChIKey is WRBQYJBHPXCZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4OS/c1-3-15-13-21(11-12-23-15)17(18-4-2)19-10-9-16(22)20-14-7-5-6-8-14/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,22).
What are the key properties of N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide?
N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide has a molecular weight of 340.54 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide is sourced from PubChem (CID 109487070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).