1-(4,4-dimethylcyclohexyl)-3-ethylthiourea

C11H22N2S — CID 115647000

IUPAC1-(4,4-dimethylcyclohexyl)-3-ethylthiourea
SMILESCCNC(=S)NC1CCC(C)(C)CC1
InChIInChI=1S/C11H22N2S/c1-4-12-10(14)13-9-5-7-11(2,3)8-6-9/h9H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyGMDJEVMIQLIAQP-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.44
Rot. Bonds2

About 1-(4,4-dimethylcyclohexyl)-3-ethylthiourea

1-(4,4-dimethylcyclohexyl)-3-ethylthiourea (PubChem CID 115647000) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-3-ethylthiourea
PubChem CID115647000
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name1-(4,4-dimethylcyclohexyl)-3-ethylthiourea
SMILESCCNC(=S)NC1CCC(C)(C)CC1
InChIInChI=1S/C11H22N2S/c1-4-12-10(14)13-9-5-7-11(2,3)8-6-9/h9H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyGMDJEVMIQLIAQP-UHFFFAOYSA-N
XLogP2.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)thiourea
CID 17276884
1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea
CID 115880253
1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea
CID 116508698
1-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-3-ethylthiourea
CID 3217763
1-(3,3-dimethylcyclopentyl)-3-(3-methylsulfanylpropyl)thiourea
CID 115880265
1-(1-benzylpiperidin-1-ium-4-yl)-3-ethylthiourea
CID 8668980
1-(4,4-dimethylcyclohexyl)-3-propylurea
CID 115660888
1-(4,4-dimethylcyclohexyl)-3-ethyl-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 111995365
1-cyclopropyl-3-pentylthiourea
CID 19650722
1-cyclooctyl-3-propylthiourea
CID 19650537
2-(cyclopropylcarbamothioylamino)-N-methylacetamide
CID 115571221
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea
CID 115641119

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-ethylthiourea?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-ethylthiourea (CID 115647000) is 1-(4,4-dimethylcyclohexyl)-3-ethylthiourea.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-3-ethylthiourea?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-3-ethylthiourea is CCNC(=S)NC1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-3-ethylthiourea?
The InChIKey is GMDJEVMIQLIAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-4-12-10(14)13-9-5-7-11(2,3)8-6-9/h9H,4-8H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(4,4-dimethylcyclohexyl)-3-ethylthiourea?
1-(4,4-dimethylcyclohexyl)-3-ethylthiourea has a molecular weight of 214.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-3-ethylthiourea is sourced from PubChem (CID 115647000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).