1-cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea

C13H25N3OS — CID 174826696

IUPAC1-cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea
SMILESS=C(NCCC1CNCCO1)NC1CCCCC1
InChIInChI=1S/C13H25N3OS/c18-13(16-11-4-2-1-3-5-11)15-7-6-12-10-14-8-9-17-12/h11-12,14H,1-10H2,(H2,15,16,18)
InChIKeyUDAIUNBQLXGHIW-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.16
Rot. Bonds4

About 1-cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea

1-cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea (PubChem CID 174826696) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea
PubChem CID174826696
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name1-cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea
SMILESS=C(NCCC1CNCCO1)NC1CCCCC1
InChIInChI=1S/C13H25N3OS/c18-13(16-11-4-2-1-3-5-11)15-7-6-12-10-14-8-9-17-12/h11-12,14H,1-10H2,(H2,15,16,18)
InChIKeyUDAIUNBQLXGHIW-UHFFFAOYSA-N
XLogP1.16
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-3-(2-morpholin-2-ylethyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea (CID 174826696) is 1-cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea is S=C(NCCC1CNCCO1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea?
The InChIKey is UDAIUNBQLXGHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c18-13(16-11-4-2-1-3-5-11)15-7-6-12-10-14-8-9-17-12/h11-12,14H,1-10H2,(H2,15,16,18).
What are the key properties of 1-cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea?
1-cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea has a molecular weight of 271.43 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea is sourced from PubChem (CID 174826696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).