1-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea

C14H26N2OS — CID 2938634

IUPAC1-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea
SMILESCCN(C(=S)NCC1CCCO1)C1CCCCC1
InChIInChI=1S/C14H26N2OS/c1-2-16(12-7-4-3-5-8-12)14(18)15-11-13-9-6-10-17-13/h12-13H,2-11H2,1H3,(H,15,18)
InChIKeyCTSUEUGVFYCFSW-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.69
Rot. Bonds4

About 1-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea

1-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea (PubChem CID 2938634) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea
PubChem CID2938634
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea
SMILESCCN(C(=S)NCC1CCCO1)C1CCCCC1
InChIInChI=1S/C14H26N2OS/c1-2-16(12-7-4-3-5-8-12)14(18)15-11-13-9-6-10-17-13/h12-13H,2-11H2,1H3,(H,15,18)
InChIKeyCTSUEUGVFYCFSW-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea?
The IUPAC name of 1-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea (CID 2938634) is 1-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea?
The canonical SMILES for 1-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea is CCN(C(=S)NCC1CCCO1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea?
The InChIKey is CTSUEUGVFYCFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-2-16(12-7-4-3-5-8-12)14(18)15-11-13-9-6-10-17-13/h12-13H,2-11H2,1H3,(H,15,18).
What are the key properties of 1-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea?
1-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea has a molecular weight of 270.44 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethyl-3-(oxolan-2-ylmethyl)thiourea is sourced from PubChem (CID 2938634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).