1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea

C11H22N2OS — CID 115577724

IUPAC1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea
SMILESCOCCCNC(=S)N(C)C(C)C1CC1
InChIInChI=1S/C11H22N2OS/c1-9(10-5-6-10)13(2)11(15)12-7-4-8-14-3/h9-10H,4-8H2,1-3H3,(H,12,15)
InChIKeyVSRGEABRYVXYSR-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.63
Rot. Bonds6

About 1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea

1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea (PubChem CID 115577724) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea
PubChem CID115577724
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea
SMILESCOCCCNC(=S)N(C)C(C)C1CC1
InChIInChI=1S/C11H22N2OS/c1-9(10-5-6-10)13(2)11(15)12-7-4-8-14-3/h9-10H,4-8H2,1-3H3,(H,12,15)
InChIKeyVSRGEABRYVXYSR-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxypropyl)-1-methyl-1-(4-methylsulfanylbutan-2-yl)thiourea
CID 115635674
1-(1-cyclopropylethyl)-1,3-dimethylthiourea
CID 115577713
3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea
CID 115620797
1-(1,1-dioxothiolan-3-yl)-3-(3-methoxypropyl)-1-methylthiourea
CID 113218995
1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea
CID 115579212
1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea
CID 115587999
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)-1-methylthiourea
CID 116508676
1-(3-methoxypropyl)-3-[1-(oxan-4-yl)ethyl]thiourea
CID 103767959
3-(2-methoxyethyl)-1-methyl-1-pentan-3-ylthiourea
CID 115578961
3-(3-methoxypropyl)-1-methyl-1-(2,2,2-trifluoroethyl)thiourea
CID 116507563
3-(3-methoxypropyl)-1-methyl-1-pentylthiourea
CID 116507373
1,1-di(butan-2-yl)-3-(2-methoxyethyl)thiourea
CID 19653498

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea (CID 115577724) is 1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea is COCCCNC(=S)N(C)C(C)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea?
The InChIKey is VSRGEABRYVXYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(10-5-6-10)13(2)11(15)12-7-4-8-14-3/h9-10H,4-8H2,1-3H3,(H,12,15).
What are the key properties of 1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea?
1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea has a molecular weight of 230.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea is sourced from PubChem (CID 115577724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).