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

C12H23N3OS — CID 87662883

IUPAC1-cyclohexyl-3-(morpholin-2-ylmethyl)thiourea
SMILESS=C(NCC1CNCCO1)NC1CCCCC1
InChIInChI=1S/C12H23N3OS/c17-12(15-10-4-2-1-3-5-10)14-9-11-8-13-6-7-16-11/h10-11,13H,1-9H2,(H2,14,15,17)
InChIKeyQJNSSPLSOQFWSP-UHFFFAOYSA-N
MW257.40 g/mol
LogP0.77
Rot. Bonds3

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

1-cyclohexyl-3-(morpholin-2-ylmethyl)thiourea (PubChem CID 87662883) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(morpholin-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(morpholin-2-ylmethyl)thiourea
PubChem CID87662883
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name1-cyclohexyl-3-(morpholin-2-ylmethyl)thiourea
SMILESS=C(NCC1CNCCO1)NC1CCCCC1
InChIInChI=1S/C12H23N3OS/c17-12(15-10-4-2-1-3-5-10)14-9-11-8-13-6-7-16-11/h10-11,13H,1-9H2,(H2,14,15,17)
InChIKeyQJNSSPLSOQFWSP-UHFFFAOYSA-N
XLogP0.77
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 50.77
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-(morpholin-2-ylmethyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(morpholin-2-ylmethyl)thiourea (CID 87662883) is 1-cyclohexyl-3-(morpholin-2-ylmethyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(morpholin-2-ylmethyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(morpholin-2-ylmethyl)thiourea is S=C(NCC1CNCCO1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(morpholin-2-ylmethyl)thiourea?
The InChIKey is QJNSSPLSOQFWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c17-12(15-10-4-2-1-3-5-10)14-9-11-8-13-6-7-16-11/h10-11,13H,1-9H2,(H2,14,15,17).
What are the key properties of 1-cyclohexyl-3-(morpholin-2-ylmethyl)thiourea?
1-cyclohexyl-3-(morpholin-2-ylmethyl)thiourea has a molecular weight of 257.40 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(morpholin-2-ylmethyl)thiourea is sourced from PubChem (CID 87662883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).