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

C17H32N4OS — CID 109489825

IUPACN-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide
SMILESCCN/C(=N\CCC(=O)NC1CCCC1)N1CCSC(C)(C)C1
InChIInChI=1S/C17H32N4OS/c1-4-18-16(21-11-12-23-17(2,3)13-21)19-10-9-15(22)20-14-7-5-6-8-14/h14H,4-13H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyPDZSWJASVAQSNC-UHFFFAOYSA-N
MW340.54 g/mol
LogP2.23
Rot. Bonds5

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

N-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide (PubChem CID 109489825) has the molecular formula C17H32N4OS and a molecular weight of 340.54 g/mol. Its IUPAC name is N-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide
PubChem CID109489825
Molecular FormulaC17H32N4OS
Molecular Weight340.54 g/mol
Exact Mass340.23
IUPAC NameN-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide
SMILESCCN/C(=N\CCC(=O)NC1CCCC1)N1CCSC(C)(C)C1
InChIInChI=1S/C17H32N4OS/c1-4-18-16(21-11-12-23-17(2,3)13-21)19-10-9-15(22)20-14-7-5-6-8-14/h14H,4-13H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyPDZSWJASVAQSNC-UHFFFAOYSA-N
XLogP2.23
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

N-cyclopropyl-4-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]butanamide;hydroiodide
CID 109487892
3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]-N-(1,1-dioxothiolan-3-yl)propanamide;hydroiodide
CID 109489976
3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide
CID 109489681
3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109489680
methyl 3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanoate;hydroiodide
CID 109488240
N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide
CID 109487070
N-cyclopropyl-2-[4-[2-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]ethyl]phenoxy]acetamide
CID 109487999
N-ethyl-2,2-dimethyl-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489294
N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide
CID 111144644
N'-butyl-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109489605
ethyl 4-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]butanoate
CID 109487441
N-cyclopentyl-3-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]propanamide
CID 111736603

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide (CID 109489825) is N-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide is CCN/C(=N\CCC(=O)NC1CCCC1)N1CCSC(C)(C)C1.
What is the InChIKey of N-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide?
The InChIKey is PDZSWJASVAQSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4OS/c1-4-18-16(21-11-12-23-17(2,3)13-21)19-10-9-15(22)20-14-7-5-6-8-14/h14H,4-13H2,1-3H3,(H,18,19)(H,20,22).
What are the key properties of N-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide?
N-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide has a molecular weight of 340.54 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide is sourced from PubChem (CID 109489825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).