1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea

C12H26N2O3S — CID 113225530

IUPAC1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea
SMILESCOCCCN(CCOC)C(=S)NC(C)COC
InChIInChI=1S/C12H26N2O3S/c1-11(10-17-4)13-12(18)14(7-9-16-3)6-5-8-15-2/h11H,5-10H2,1-4H3,(H,13,18)
InChIKeyNQVFXAVWZBKAMU-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.88
Rot. Bonds10

About 1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea

1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea (PubChem CID 113225530) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea
PubChem CID113225530
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea
SMILESCOCCCN(CCOC)C(=S)NC(C)COC
InChIInChI=1S/C12H26N2O3S/c1-11(10-17-4)13-12(18)14(7-9-16-3)6-5-8-15-2/h11H,5-10H2,1-4H3,(H,13,18)
InChIKeyNQVFXAVWZBKAMU-UHFFFAOYSA-N
XLogP0.88
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea
CID 115587999
3-(1-methoxypropan-2-yl)-1-methyl-1-(2-methylsulfanylethyl)thiourea
CID 115687485
1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea
CID 115579212
3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea
CID 115580720
1-(1-methoxypropan-2-yl)-3-(4-methylhexan-2-yl)thiourea
CID 115662327
3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114896858
3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62668666
5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)hexanamide
CID 82851354
1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea
CID 115635665
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 63678594
1-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1-methylthiourea
CID 115587822
2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445610

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea (CID 113225530) is 1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea is COCCCN(CCOC)C(=S)NC(C)COC.
What is the InChIKey of 1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea?
The InChIKey is NQVFXAVWZBKAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-11(10-17-4)13-12(18)14(7-9-16-3)6-5-8-15-2/h11H,5-10H2,1-4H3,(H,13,18).
What are the key properties of 1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea?
1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea has a molecular weight of 278.42 g/mol, XLogP of 0.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea is sourced from PubChem (CID 113225530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).