1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea

C12H24N2OS — CID 115687449

IUPAC1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea
SMILESCCOCCCNC(=S)NCCC1CCC1
InChIInChI=1S/C12H24N2OS/c1-2-15-10-4-8-13-12(16)14-9-7-11-5-3-6-11/h11H,2-10H2,1H3,(H2,13,14,16)
InChIKeyIIQUNEOOAMNDBC-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.07
Rot. Bonds8

About 1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea

1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea (PubChem CID 115687449) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea.

Molecular Properties

Compound Name1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea
PubChem CID115687449
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea
SMILESCCOCCCNC(=S)NCCC1CCC1
InChIInChI=1S/C12H24N2OS/c1-2-15-10-4-8-13-12(16)14-9-7-11-5-3-6-11/h11H,2-10H2,1H3,(H2,13,14,16)
InChIKeyIIQUNEOOAMNDBC-UHFFFAOYSA-N
XLogP2.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-pentylthiourea
CID 115570291
1-(2-cyclopentylethyl)-3-(2-methoxyethyl)thiourea
CID 115578349
1-tert-butyl-3-(3-ethoxypropyl)thiourea
CID 43384731
1-butyl-3-[2-(4-methylcyclohexyl)ethyl]thiourea
CID 116508788
ethyl 2-(3-ethoxypropylcarbamothioylamino)acetate
CID 116507543
1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115583597
1-(2,2-difluoroethyl)-3-(3-ethoxypropyl)thiourea
CID 115667333
1-(1,4-dithian-2-ylmethyl)-3-(3-ethoxypropyl)thiourea
CID 116510229
2-(3-ethoxypropylcarbamothioylamino)ethyl carbamate
CID 116509852
1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea
CID 115595164
cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
CID 94820992
1-(3-cyclopropylpropyl)-3-ethylthiourea
CID 115635630

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea?
The IUPAC name of 1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea (CID 115687449) is 1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea.
What is the SMILES notation for 1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea?
The canonical SMILES for 1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea is CCOCCCNC(=S)NCCC1CCC1.
What is the InChIKey of 1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea?
The InChIKey is IIQUNEOOAMNDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-2-15-10-4-8-13-12(16)14-9-7-11-5-3-6-11/h11H,2-10H2,1H3,(H2,13,14,16).
What are the key properties of 1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea?
1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea has a molecular weight of 244.40 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea is sourced from PubChem (CID 115687449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).