1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea

C14H26N4OS — CID 7934225

IUPAC1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESC[C@@H]1CCCC/C1=N/NC(=S)NCCN1CCOCC1
InChIInChI=1S/C14H26N4OS/c1-12-4-2-3-5-13(12)16-17-14(20)15-6-7-18-8-10-19-11-9-18/h12H,2-11H2,1H3,(H2,15,17,20)/b16-13-/t12-/m1/s1
InChIKeyMGNLPDWZUYZFPR-CZWGUHTPSA-N
MW298.46 g/mol
LogP1.35
Rot. Bonds4

About 1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea

1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 7934225) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID7934225
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESC[C@@H]1CCCC/C1=N/NC(=S)NCCN1CCOCC1
InChIInChI=1S/C14H26N4OS/c1-12-4-2-3-5-13(12)16-17-14(20)15-6-7-18-8-10-19-11-9-18/h12H,2-11H2,1H3,(H2,15,17,20)/b16-13-/t12-/m1/s1
InChIKeyMGNLPDWZUYZFPR-CZWGUHTPSA-N
XLogP1.35
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea (CID 7934225) is 1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea is C[C@@H]1CCCC/C1=N/NC(=S)NCCN1CCOCC1.
What is the InChIKey of 1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is MGNLPDWZUYZFPR-CZWGUHTPSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-12-4-2-3-5-13(12)16-17-14(20)15-6-7-18-8-10-19-11-9-18/h12H,2-11H2,1H3,(H2,15,17,20)/b16-13-/t12-/m1/s1.
What are the key properties of 1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea?
1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 298.46 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 7934225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).