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

C11H22N2OS — CID 115880253

IUPAC1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NC1CCC(C)(C)C1
InChIInChI=1S/C11H22N2OS/c1-11(2)5-4-9(8-11)13-10(15)12-6-7-14-3/h9H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyFOBVEVIOMQMZSZ-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.68
Rot. Bonds4

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

1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea (PubChem CID 115880253) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea
PubChem CID115880253
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NC1CCC(C)(C)C1
InChIInChI=1S/C11H22N2OS/c1-11(2)5-4-9(8-11)13-10(15)12-6-7-14-3/h9H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyFOBVEVIOMQMZSZ-UHFFFAOYSA-N
XLogP1.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3,3-dimethylcyclopentyl)-3-(3-methylsulfanylpropyl)thiourea
CID 115880265
1-(2-methoxyethyl)-3-(2,2,3,3-tetramethylcyclopropyl)thiourea
CID 115674490
1-(3-methoxypropyl)-3-(3,3,5-trimethylcyclohexyl)thiourea
CID 19652674
1-(4,4-dimethylcyclohexyl)-3-ethylthiourea
CID 115647000
1-cyclobutyl-3-(3-methoxypropyl)thiourea
CID 115617445
1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea
CID 115590134
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,3-dimethylcyclopentyl)thiourea
CID 114550565
2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol
CID 80692164
1-(2-methoxyethyl)-3-(5-oxopyrrolidin-3-yl)thiourea
CID 106186241
1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea
CID 165468943
1-(2-methoxyethyl)-3-(4-methyloxan-4-yl)thiourea
CID 116510249
1-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methoxyethyl)thiourea
CID 98109923

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea (CID 115880253) is 1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea is COCCNC(=S)NC1CCC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea?
The InChIKey is FOBVEVIOMQMZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-11(2)5-4-9(8-11)13-10(15)12-6-7-14-3/h9H,4-8H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea?
1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea has a molecular weight of 230.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 115880253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).