3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea

C11H20N2OS — CID 115594267

IUPAC3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea
SMILESCCN(CC1CCCO1)C(=S)NC1CC1
InChIInChI=1S/C11H20N2OS/c1-2-13(8-10-4-3-7-14-10)11(15)12-9-5-6-9/h9-10H,2-8H2,1H3,(H,12,15)
InChIKeyBESRGIIZIMVODS-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.52
Rot. Bonds4

About 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea

3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea (PubChem CID 115594267) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea
PubChem CID115594267
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea
SMILESCCN(CC1CCCO1)C(=S)NC1CC1
InChIInChI=1S/C11H20N2OS/c1-2-13(8-10-4-3-7-14-10)11(15)12-9-5-6-9/h9-10H,2-8H2,1H3,(H,12,15)
InChIKeyBESRGIIZIMVODS-UHFFFAOYSA-N
XLogP1.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
1-ethyl-1-(oxolan-2-ylmethyl)-3-phenylthiourea
CID 3350664
3-cyclopropyl-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 9284117
3-cyclopentyl-1,1-diethylthiourea
CID 19652948
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62846746
N-ethyl-2-(ethylamino)-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 62835569
1-butyl-3-cyclopropyl-1-ethylthiourea
CID 115570266
3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 40596895
3-[(2R,6S)-2,6-dimethylcyclohexyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95972940
3-cyclooctyl-1-[(3-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 17065543
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea?
The IUPAC name of 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea (CID 115594267) is 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea.
What is the SMILES notation for 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea?
The canonical SMILES for 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea is CCN(CC1CCCO1)C(=S)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea?
The InChIKey is BESRGIIZIMVODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-2-13(8-10-4-3-7-14-10)11(15)12-9-5-6-9/h9-10H,2-8H2,1H3,(H,12,15).
What are the key properties of 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea?
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea has a molecular weight of 228.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)thiourea is sourced from PubChem (CID 115594267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).