1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea

C10H20N2O2S — CID 116510249

IUPAC1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea
SMILESCOCCNC(=S)NC1(C)CCOCC1
InChIInChI=1S/C10H20N2O2S/c1-10(3-6-14-7-4-10)12-9(15)11-5-8-13-2/h3-8H2,1-2H3,(H2,11,12,15)
InChIKeyOKQMJPVLAMLTQU-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.67
Rot. Bonds4

About 1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea

1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea (PubChem CID 116510249) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea
PubChem CID116510249
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea
SMILESCOCCNC(=S)NC1(C)CCOCC1
InChIInChI=1S/C10H20N2O2S/c1-10(3-6-14-7-4-10)12-9(15)11-5-8-13-2/h3-8H2,1-2H3,(H2,11,12,15)
InChIKeyOKQMJPVLAMLTQU-UHFFFAOYSA-N
XLogP0.67
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.67
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-(4-methyloxan-4-yl)-3-propylthiourea
CID 116510244
1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea
CID 103723918
1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea
CID 154752872
1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea
CID 115674490
1-(3-methoxypropyl)-3-(oxan-4-ylmethyl)thiourea
CID 115599220
1-(3-methoxypropyl)-3-[1-(oxan-4-yl)ethyl]thiourea
CID 103767959
1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 115570403
1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea
CID 115880253
1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189
2-chloro-N-(4-methyloxan-4-yl)acetamide
CID 18437326
1-(3-methyloxolan-3-yl)-3-prop-2-ynylthiourea
CID 130747140
1-(3-methyloxan-3-yl)-3-propylthiourea
CID 103895749

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea (CID 116510249) is 1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea is COCCNC(=S)NC1(C)CCOCC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea?
The InChIKey is OKQMJPVLAMLTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-10(3-6-14-7-4-10)12-9(15)11-5-8-13-2/h3-8H2,1-2H3,(H2,11,12,15).
What are the key properties of 1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea?
1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea has a molecular weight of 232.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea is sourced from PubChem (CID 116510249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).