1-acetamido-3-cyclohexylthiourea

C9H17N3OS — CID 17372219

IUPAC1-acetamido-3-cyclohexylthiourea
SMILESCC(=O)NNC(=S)NC1CCCCC1
InChIInChI=1S/C9H17N3OS/c1-7(13)11-12-9(14)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,11,13)(H2,10,12,14)
InChIKeyUCQXDADIJVSYMY-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.83
Rot. Bonds1

About 1-acetamido-3-cyclohexylthiourea

1-acetamido-3-cyclohexylthiourea (PubChem CID 17372219) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-acetamido-3-cyclohexylthiourea.

Molecular Properties

Compound Name1-acetamido-3-cyclohexylthiourea
PubChem CID17372219
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name1-acetamido-3-cyclohexylthiourea
SMILESCC(=O)NNC(=S)NC1CCCCC1
InChIInChI=1S/C9H17N3OS/c1-7(13)11-12-9(14)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,11,13)(H2,10,12,14)
InChIKeyUCQXDADIJVSYMY-UHFFFAOYSA-N
XLogP0.83
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-acetamido-3-cyclohexylthiourea?
The IUPAC name of 1-acetamido-3-cyclohexylthiourea (CID 17372219) is 1-acetamido-3-cyclohexylthiourea.
What is the SMILES notation for 1-acetamido-3-cyclohexylthiourea?
The canonical SMILES for 1-acetamido-3-cyclohexylthiourea is CC(=O)NNC(=S)NC1CCCCC1.
What is the InChIKey of 1-acetamido-3-cyclohexylthiourea?
The InChIKey is UCQXDADIJVSYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-7(13)11-12-9(14)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,11,13)(H2,10,12,14).
What are the key properties of 1-acetamido-3-cyclohexylthiourea?
1-acetamido-3-cyclohexylthiourea has a molecular weight of 215.32 g/mol, XLogP of 0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-3-cyclohexylthiourea is sourced from PubChem (CID 17372219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).