1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea

C21H37N3OS — CID 4075972

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NC1CCCCC1)N(CCCN1CCOCC1)CC1CC=CCC1
InChIInChI=1S/C21H37N3OS/c26-21(22-20-10-5-2-6-11-20)24(18-19-8-3-1-4-9-19)13-7-12-23-14-16-25-17-15-23/h1,3,19-20H,2,4-18H2,(H,22,26)
InChIKeyFWURALIJZFBKGQ-UHFFFAOYSA-N
MW379.61 g/mol
LogP3.57
Rot. Bonds7

About 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea

1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 4075972) has the molecular formula C21H37N3OS and a molecular weight of 379.61 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea
PubChem CID4075972
Molecular FormulaC21H37N3OS
Molecular Weight379.61 g/mol
Exact Mass379.27
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NC1CCCCC1)N(CCCN1CCOCC1)CC1CC=CCC1
InChIInChI=1S/C21H37N3OS/c26-21(22-20-10-5-2-6-11-20)24(18-19-8-3-1-4-9-19)13-7-12-23-14-16-25-17-15-23/h1,3,19-20H,2,4-18H2,(H,22,26)
InChIKeyFWURALIJZFBKGQ-UHFFFAOYSA-N
XLogP3.57
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.61
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea (CID 4075972) is 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea is S=C(NC1CCCCC1)N(CCCN1CCOCC1)CC1CC=CCC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is FWURALIJZFBKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3OS/c26-21(22-20-10-5-2-6-11-20)24(18-19-8-3-1-4-9-19)13-7-12-23-14-16-25-17-15-23/h1,3,19-20H,2,4-18H2,(H,22,26).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea?
1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 379.61 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 4075972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).