1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea

C15H26N2S — CID 115662423

IUPAC1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea
SMILESS=C(NCC(C1CC1)C1CC1)NC1CCCCC1
InChIInChI=1S/C15H26N2S/c18-15(17-13-4-2-1-3-5-13)16-10-14(11-6-7-11)12-8-9-12/h11-14H,1-10H2,(H2,16,17,18)
InChIKeyURDAFEVYQQVQOH-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.22
Rot. Bonds5

About 1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea

1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea (PubChem CID 115662423) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea
PubChem CID115662423
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea
SMILESS=C(NCC(C1CC1)C1CC1)NC1CCCCC1
InChIInChI=1S/C15H26N2S/c18-15(17-13-4-2-1-3-5-13)16-10-14(11-6-7-11)12-8-9-12/h11-14H,1-10H2,(H2,16,17,18)
InChIKeyURDAFEVYQQVQOH-UHFFFAOYSA-N
XLogP3.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.22
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-cyclohexyl-3-(2,2-dicyclopropylethyl)urea
CID 113245022
1-cyclopentyl-3-(2,2-difluoroethyl)thiourea
CID 116509660
1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea
CID 116508951
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea
CID 131160107
1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea
CID 116508117
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523
1-cyclooctyl-3-propylthiourea
CID 19650537
1-cyclohexyl-3-(1-cyclopropylethyl)thiourea
CID 115573118
2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide
CID 49154483
1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea
CID 102794704
1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea
CID 892266

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea (CID 115662423) is 1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea is S=C(NCC(C1CC1)C1CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea?
The InChIKey is URDAFEVYQQVQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c18-15(17-13-4-2-1-3-5-13)16-10-14(11-6-7-11)12-8-9-12/h11-14H,1-10H2,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea?
1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea has a molecular weight of 266.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea is sourced from PubChem (CID 115662423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).