1-(cyclohexanecarbonylamino)-3-ethylthiourea

C10H19N3OS — CID 2133292

IUPAC1-(cyclohexanecarbonylamino)-3-ethylthiourea
SMILESCCNC(=S)NNC(=O)C1CCCCC1
InChIInChI=1S/C10H19N3OS/c1-2-11-10(15)13-12-9(14)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,12,14)(H2,11,13,15)
InChIKeyAFOBDGVZJKRQFN-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.08
Rot. Bonds2

About 1-(cyclohexanecarbonylamino)-3-ethylthiourea

1-(cyclohexanecarbonylamino)-3-ethylthiourea (PubChem CID 2133292) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(cyclohexanecarbonylamino)-3-ethylthiourea.

Molecular Properties

Compound Name1-(cyclohexanecarbonylamino)-3-ethylthiourea
PubChem CID2133292
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-(cyclohexanecarbonylamino)-3-ethylthiourea
SMILESCCNC(=S)NNC(=O)C1CCCCC1
InChIInChI=1S/C10H19N3OS/c1-2-11-10(15)13-12-9(14)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,12,14)(H2,11,13,15)
InChIKeyAFOBDGVZJKRQFN-UHFFFAOYSA-N
XLogP1.08
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.08
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-(cyclohexanecarbonylamino)-3-ethylthiourea?
The IUPAC name of 1-(cyclohexanecarbonylamino)-3-ethylthiourea (CID 2133292) is 1-(cyclohexanecarbonylamino)-3-ethylthiourea.
What is the SMILES notation for 1-(cyclohexanecarbonylamino)-3-ethylthiourea?
The canonical SMILES for 1-(cyclohexanecarbonylamino)-3-ethylthiourea is CCNC(=S)NNC(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonylamino)-3-ethylthiourea?
The InChIKey is AFOBDGVZJKRQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-2-11-10(15)13-12-9(14)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,12,14)(H2,11,13,15).
What are the key properties of 1-(cyclohexanecarbonylamino)-3-ethylthiourea?
1-(cyclohexanecarbonylamino)-3-ethylthiourea has a molecular weight of 229.35 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonylamino)-3-ethylthiourea is sourced from PubChem (CID 2133292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).