1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea

C11H22N2O2S — CID 115687552

IUPAC1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea
SMILESCOCCNC(=S)N(C)CCOCC1CC1
InChIInChI=1S/C11H22N2O2S/c1-13(11(16)12-5-7-14-2)6-8-15-9-10-3-4-10/h10H,3-9H2,1-2H3,(H,12,16)
InChIKeyIYHPIEFESHNRQG-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.87
Rot. Bonds8

About 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea

1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea (PubChem CID 115687552) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea
PubChem CID115687552
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea
SMILESCOCCNC(=S)N(C)CCOCC1CC1
InChIInChI=1S/C11H22N2O2S/c1-13(11(16)12-5-7-14-2)6-8-15-9-10-3-4-10/h10H,3-9H2,1-2H3,(H,12,16)
InChIKeyIYHPIEFESHNRQG-UHFFFAOYSA-N
XLogP0.87
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
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

2-[[[2-(cyclopropylmethoxy)ethyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110045610
3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea
CID 116508304
1-[2-(cyclopropylmethoxy)ethyl]-3-ethyl-1,2-dimethylguanidine;hydroiodide
CID 75514182
3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea
CID 116507622
3-butyl-1-(3-methoxypropyl)-1-methylthiourea
CID 115595156
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)-1-methylthiourea
CID 116508676
N-[2-(cyclopropylmethoxy)ethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119813290
N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N,2-dimethylpropanamide
CID 103430227
methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate
CID 79006432
3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea
CID 115686592
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
CID 107032708
1,1-di(butan-2-yl)-3-(2-methoxyethyl)thiourea
CID 19653498

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea (CID 115687552) is 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea is COCCNC(=S)N(C)CCOCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea?
The InChIKey is IYHPIEFESHNRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-13(11(16)12-5-7-14-2)6-8-15-9-10-3-4-10/h10H,3-9H2,1-2H3,(H,12,16).
What are the key properties of 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea?
1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea has a molecular weight of 246.38 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea is sourced from PubChem (CID 115687552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).