3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide

C15H30N4OS — CID 111529779

IUPAC3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide
SMILESCCCNC(=O)CC/N=C(\NCC)NC1CCC(SC)C1
InChIInChI=1S/C15H30N4OS/c1-4-9-17-14(20)8-10-18-15(16-5-2)19-12-6-7-13(11-12)21-3/h12-13H,4-11H2,1-3H3,(H,17,20)(H2,16,18,19)
InChIKeyHMUWXEFXVFFLKU-UHFFFAOYSA-N
MW314.50 g/mol
LogP1.74
Rot. Bonds8

About 3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide

3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide (PubChem CID 111529779) has the molecular formula C15H30N4OS and a molecular weight of 314.50 g/mol. Its IUPAC name is 3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide
PubChem CID111529779
Molecular FormulaC15H30N4OS
Molecular Weight314.50 g/mol
Exact Mass314.21
IUPAC Name3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide
SMILESCCCNC(=O)CC/N=C(\NCC)NC1CCC(SC)C1
InChIInChI=1S/C15H30N4OS/c1-4-9-17-14(20)8-10-18-15(16-5-2)19-12-6-7-13(11-12)21-3/h12-13H,4-11H2,1-3H3,(H,17,20)(H2,16,18,19)
InChIKeyHMUWXEFXVFFLKU-UHFFFAOYSA-N
XLogP1.74
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 51.74
H-Bond Donors ≤ 53
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-cyclopentyl-3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]propanamide;hydroiodide
CID 111530760
1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-(2-methylsulfonylethyl)guanidine
CID 111529771
1-ethyl-2-[2-(2-methoxyethoxy)ethyl]-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111528613
N-tert-butyl-2-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]acetamide
CID 111528369
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111528898
N-[2-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111528267
1-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111530041
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-ethyl-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111530391
1-ethyl-2-(2-methylpropyl)-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111529897
1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111529295
1-ethyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111530488
1-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111529300

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide?
The IUPAC name of 3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide (CID 111529779) is 3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide is CCCNC(=O)CC/N=C(\NCC)NC1CCC(SC)C1.
What is the InChIKey of 3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide?
The InChIKey is HMUWXEFXVFFLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4OS/c1-4-9-17-14(20)8-10-18-15(16-5-2)19-12-6-7-13(11-12)21-3/h12-13H,4-11H2,1-3H3,(H,17,20)(H2,16,18,19).
What are the key properties of 3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide?
3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide has a molecular weight of 314.50 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]-N-propylpropanamide is sourced from PubChem (CID 111529779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).