(2-cyclohexyl-2-morpholin-4-ylethyl)thiourea

C13H25N3OS — CID 87225603

IUPAC(2-cyclohexyl-2-morpholin-4-ylethyl)thiourea
SMILESNC(=S)NCC(C1CCCCC1)N1CCOCC1
InChIInChI=1S/C13H25N3OS/c14-13(18)15-10-12(11-4-2-1-3-5-11)16-6-8-17-9-7-16/h11-12H,1-10H2,(H3,14,15,18)
InChIKeyGBJBWNXRBKWQCH-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.10
Rot. Bonds4

About (2-cyclohexyl-2-morpholin-4-ylethyl)thiourea

(2-cyclohexyl-2-morpholin-4-ylethyl)thiourea (PubChem CID 87225603) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is (2-cyclohexyl-2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name(2-cyclohexyl-2-morpholin-4-ylethyl)thiourea
PubChem CID87225603
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name(2-cyclohexyl-2-morpholin-4-ylethyl)thiourea
SMILESNC(=S)NCC(C1CCCCC1)N1CCOCC1
InChIInChI=1S/C13H25N3OS/c14-13(18)15-10-12(11-4-2-1-3-5-11)16-6-8-17-9-7-16/h11-12H,1-10H2,(H3,14,15,18)
InChIKeyGBJBWNXRBKWQCH-UHFFFAOYSA-N
XLogP1.10
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.10
H-Bond Donors ≤ 52
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 (2-cyclohexyl-2-morpholin-4-ylethyl)thiourea?
The IUPAC name of (2-cyclohexyl-2-morpholin-4-ylethyl)thiourea (CID 87225603) is (2-cyclohexyl-2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for (2-cyclohexyl-2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for (2-cyclohexyl-2-morpholin-4-ylethyl)thiourea is NC(=S)NCC(C1CCCCC1)N1CCOCC1.
What is the InChIKey of (2-cyclohexyl-2-morpholin-4-ylethyl)thiourea?
The InChIKey is GBJBWNXRBKWQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c14-13(18)15-10-12(11-4-2-1-3-5-11)16-6-8-17-9-7-16/h11-12H,1-10H2,(H3,14,15,18).
What are the key properties of (2-cyclohexyl-2-morpholin-4-ylethyl)thiourea?
(2-cyclohexyl-2-morpholin-4-ylethyl)thiourea has a molecular weight of 271.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 87225603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).