1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea

C14H29N3OS — CID 115587709

IUPAC1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea
SMILESCCOCCCNC(=S)NCC(C)CN1CCCC1
InChIInChI=1S/C14H29N3OS/c1-3-18-10-6-7-15-14(19)16-11-13(2)12-17-8-4-5-9-17/h13H,3-12H2,1-2H3,(H2,15,16,19)
InChIKeyLZAZULXZZVEDBN-UHFFFAOYSA-N
MW287.47 g/mol
LogP1.61
Rot. Bonds9

About 1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea

1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea (PubChem CID 115587709) has the molecular formula C14H29N3OS and a molecular weight of 287.47 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea
PubChem CID115587709
Molecular FormulaC14H29N3OS
Molecular Weight287.47 g/mol
Exact Mass287.20
IUPAC Name1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea
SMILESCCOCCCNC(=S)NCC(C)CN1CCCC1
InChIInChI=1S/C14H29N3OS/c1-3-18-10-6-7-15-14(19)16-11-13(2)12-17-8-4-5-9-17/h13H,3-12H2,1-2H3,(H2,15,16,19)
InChIKeyLZAZULXZZVEDBN-UHFFFAOYSA-N
XLogP1.61
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea 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

1-(3-ethoxypropyl)-3-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methylguanidine
CID 111223155
1-(2,2-difluoroethyl)-3-(3-ethoxypropyl)thiourea
CID 115667333
1-(4-ethoxybutyl)-3-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methylguanidine
CID 111944741
2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111401004
1-(3-ethoxypropyl)-3-pentylthiourea
CID 115570291
1-butyl-3-(1-piperidin-1-ylpropan-2-yl)thiourea
CID 113224004
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111391300
1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea
CID 115687449
1-(3-ethoxypropyl)-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea
CID 116509453
N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115710179
1-(3-ethoxypropyl)-3-pentan-2-ylthiourea
CID 115570086
2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 62990666

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea?
The IUPAC name of 1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea (CID 115587709) is 1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea is CCOCCCNC(=S)NCC(C)CN1CCCC1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea?
The InChIKey is LZAZULXZZVEDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3OS/c1-3-18-10-6-7-15-14(19)16-11-13(2)12-17-8-4-5-9-17/h13H,3-12H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea?
1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea has a molecular weight of 287.47 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea is sourced from PubChem (CID 115587709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).