1-cyclopropyl-3-(2-methylcyclohexyl)thiourea

C11H20N2S — CID 19652593

IUPAC1-cyclopropyl-3-(2-methylcyclohexyl)thiourea
SMILESCC1CCCCC1NC(=S)NC1CC1
InChIInChI=1S/C11H20N2S/c1-8-4-2-3-5-10(8)13-11(14)12-9-6-7-9/h8-10H,2-7H2,1H3,(H2,12,13,14)
InChIKeyANMZJIXUPYVJMT-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.19
Rot. Bonds2

About 1-cyclopropyl-3-(2-methylcyclohexyl)thiourea

1-cyclopropyl-3-(2-methylcyclohexyl)thiourea (PubChem CID 19652593) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-methylcyclohexyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-methylcyclohexyl)thiourea
PubChem CID19652593
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-cyclopropyl-3-(2-methylcyclohexyl)thiourea
SMILESCC1CCCCC1NC(=S)NC1CC1
InChIInChI=1S/C11H20N2S/c1-8-4-2-3-5-10(8)13-11(14)12-9-6-7-9/h8-10H,2-7H2,1H3,(H2,12,13,14)
InChIKeyANMZJIXUPYVJMT-UHFFFAOYSA-N
XLogP2.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-methylcyclohexyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(2-methylcyclohexyl)thiourea (CID 19652593) is 1-cyclopropyl-3-(2-methylcyclohexyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(2-methylcyclohexyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(2-methylcyclohexyl)thiourea is CC1CCCCC1NC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-methylcyclohexyl)thiourea?
The InChIKey is ANMZJIXUPYVJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8-4-2-3-5-10(8)13-11(14)12-9-6-7-9/h8-10H,2-7H2,1H3,(H2,12,13,14).
What are the key properties of 1-cyclopropyl-3-(2-methylcyclohexyl)thiourea?
1-cyclopropyl-3-(2-methylcyclohexyl)thiourea has a molecular weight of 212.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-methylcyclohexyl)thiourea is sourced from PubChem (CID 19652593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).