1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea

C13H25N3OS — CID 115594287

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea
SMILESCCOCCCNC(=S)NC1CCN(C2CC2)C1
InChIInChI=1S/C13H25N3OS/c1-2-17-9-3-7-14-13(18)15-11-6-8-16(10-11)12-4-5-12/h11-12H,2-10H2,1H3,(H2,14,15,18)
InChIKeyZVAHXESSAZHINA-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.11
Rot. Bonds7

About 1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea

1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea (PubChem CID 115594287) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea
PubChem CID115594287
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea
SMILESCCOCCCNC(=S)NC1CCN(C2CC2)C1
InChIInChI=1S/C13H25N3OS/c1-2-17-9-3-7-14-13(18)15-11-6-8-16(10-11)12-4-5-12/h11-12H,2-10H2,1H3,(H2,14,15,18)
InChIKeyZVAHXESSAZHINA-UHFFFAOYSA-N
XLogP1.11
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.11
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'}

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Related Compounds

1-(3-ethoxypropyl)-3-(1-methylpiperidin-4-yl)thiourea
CID 115573046
1-(3-ethoxypropyl)-3-(1-propylsulfonylpiperidin-4-yl)thiourea
CID 43077025
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine
CID 111065628
1-(3-ethoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea
CID 115570799
1-(3-ethoxypropyl)-3-pentylthiourea
CID 115570291
N-(3-ethoxypropyl)-3,5-dimethylpiperidine-1-carbothioamide
CID 75849537
1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea
CID 115687449
1-cyclobutyl-3-(3-methoxypropyl)thiourea
CID 115617445
1-cyclopropyl-N-[3-(cyclopropylmethoxy)propyl]pyrrolidin-3-amine
CID 62980928
ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate
CID 110461541
1-tert-butyl-3-(3-ethoxypropyl)thiourea
CID 43384731
N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide
CID 56785441

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea (CID 115594287) is 1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea is CCOCCCNC(=S)NC1CCN(C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea?
The InChIKey is ZVAHXESSAZHINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-2-17-9-3-7-14-13(18)15-11-6-8-16(10-11)12-4-5-12/h11-12H,2-10H2,1H3,(H2,14,15,18).
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea?
1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea has a molecular weight of 271.43 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea is sourced from PubChem (CID 115594287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).