1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea

C10H18N2OS — CID 115583562

IUPAC1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea
SMILESCOCCN(C(=S)NC1CC1)C1CC1
InChIInChI=1S/C10H18N2OS/c1-13-7-6-12(9-4-5-9)10(14)11-8-2-3-8/h8-9H,2-7H2,1H3,(H,11,14)
InChIKeyOAMZUVQHYVJJHT-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.13
Rot. Bonds5

About 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea

1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea (PubChem CID 115583562) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea
PubChem CID115583562
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea
SMILESCOCCN(C(=S)NC1CC1)C1CC1
InChIInChI=1S/C10H18N2OS/c1-13-7-6-12(9-4-5-9)10(14)11-8-2-3-8/h8-9H,2-7H2,1H3,(H,11,14)
InChIKeyOAMZUVQHYVJJHT-UHFFFAOYSA-N
XLogP1.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.13
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

1-butyl-1,3-dicyclopropylthiourea
CID 115579485
3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea
CID 116507622
3-cyclohexyl-1-cyclopropyl-1-propylthiourea
CID 115611465
1-cyclopentyl-3-cyclopropyl-1-ethylthiourea
CID 71893777
4-N-cyclopropyl-4-N-(2-methoxyethyl)-1-N-methylcyclohexane-1,4-diamine
CID 114763004
2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 61455785
3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea
CID 47326407
1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 114762995
3-cyclopropyl-1-ethoxy-1-methylthiourea
CID 131222930
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclopropyl-1-(2-methoxyethyl)thiourea
CID 9093449
1-cyclobutyl-3-(3-methoxypropyl)thiourea
CID 115617445
N-cyclopropyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79203731

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea?
The IUPAC name of 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea (CID 115583562) is 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea?
The canonical SMILES for 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea is COCCN(C(=S)NC1CC1)C1CC1.
What is the InChIKey of 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea?
The InChIKey is OAMZUVQHYVJJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-13-7-6-12(9-4-5-9)10(14)11-8-2-3-8/h8-9H,2-7H2,1H3,(H,11,14).
What are the key properties of 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea?
1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea has a molecular weight of 214.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea is sourced from PubChem (CID 115583562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).