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

C18H31N3OS — CID 4621963

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-cyclopropyl-1-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NC1CC1)N(CCCN1CCOCC1)CC1CC=CCC1
InChIInChI=1S/C18H31N3OS/c23-18(19-17-7-8-17)21(15-16-5-2-1-3-6-16)10-4-9-20-11-13-22-14-12-20/h1-2,16-17H,3-15H2,(H,19,23)
InChIKeyZGTZDOMDRFUCHO-UHFFFAOYSA-N
MW337.53 g/mol
LogP2.40
Rot. Bonds7

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

1-(cyclohex-3-en-1-ylmethyl)-3-cyclopropyl-1-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 4621963) has the molecular formula C18H31N3OS and a molecular weight of 337.53 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-cyclopropyl-1-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-cyclopropyl-1-(3-morpholin-4-ylpropyl)thiourea
PubChem CID4621963
Molecular FormulaC18H31N3OS
Molecular Weight337.53 g/mol
Exact Mass337.22
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-cyclopropyl-1-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NC1CC1)N(CCCN1CCOCC1)CC1CC=CCC1
InChIInChI=1S/C18H31N3OS/c23-18(19-17-7-8-17)21(15-16-5-2-1-3-6-16)10-4-9-20-11-13-22-14-12-20/h1-2,16-17H,3-15H2,(H,19,23)
InChIKeyZGTZDOMDRFUCHO-UHFFFAOYSA-N
XLogP2.40
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.53
LogP ≤ 52.40
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-cyclopropyl-1-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-cyclopropyl-1-(3-morpholin-4-ylpropyl)thiourea (CID 4621963) is 1-(cyclohex-3-en-1-ylmethyl)-3-cyclopropyl-1-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-cyclopropyl-1-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-cyclopropyl-1-(3-morpholin-4-ylpropyl)thiourea is S=C(NC1CC1)N(CCCN1CCOCC1)CC1CC=CCC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-cyclopropyl-1-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is ZGTZDOMDRFUCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3OS/c23-18(19-17-7-8-17)21(15-16-5-2-1-3-6-16)10-4-9-20-11-13-22-14-12-20/h1-2,16-17H,3-15H2,(H,19,23).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-cyclopropyl-1-(3-morpholin-4-ylpropyl)thiourea?
1-(cyclohex-3-en-1-ylmethyl)-3-cyclopropyl-1-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 337.53 g/mol, XLogP of 2.40, 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-cyclopropyl-1-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 4621963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).