1-carbamothioyl-1-cyclohexylurea

C8H15N3OS — CID 175078578

IUPAC1-carbamothioyl-1-cyclohexylurea
SMILESNC(=O)N(C(N)=S)C1CCCCC1
InChIInChI=1S/C8H15N3OS/c9-7(12)11(8(10)13)6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,12)(H2,10,13)
InChIKeyFUXREYNRXISHHS-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.94
Rot. Bonds1

About 1-carbamothioyl-1-cyclohexylurea

1-carbamothioyl-1-cyclohexylurea (PubChem CID 175078578) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-carbamothioyl-1-cyclohexylurea.

Molecular Properties

Compound Name1-carbamothioyl-1-cyclohexylurea
PubChem CID175078578
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name1-carbamothioyl-1-cyclohexylurea
SMILESNC(=O)N(C(N)=S)C1CCCCC1
InChIInChI=1S/C8H15N3OS/c9-7(12)11(8(10)13)6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,12)(H2,10,13)
InChIKeyFUXREYNRXISHHS-UHFFFAOYSA-N
XLogP0.94
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclooctyl-1-methylurea
CID 126989312
tert-butyl N-carbamoyl-N-cyclopentylcarbamate
CID 141307871
N-carbamoyl-N-cyclohexylsulfamoyl chloride
CID 172847013
carbonochloridoyl(cyclohexyl)carbamic acid
CID 88834306
2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride
CID 174780636
2-[cyclohexyl(methyl)amino]acetamide
CID 22200523
1,1,3,3-tetracyclohexylthiourea
CID 12935848
N,N-dicyclohexylcyclobutanecarboxamide
CID 841777
ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate
CID 152645374
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide
CID 79152105
carbamothioic S-acid;O-cyclohexyl carbamothioate
CID 174527740
N-cyclohexylacetohydrazide
CID 89012430

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-1-cyclohexylurea?
The IUPAC name of 1-carbamothioyl-1-cyclohexylurea (CID 175078578) is 1-carbamothioyl-1-cyclohexylurea.
What is the SMILES notation for 1-carbamothioyl-1-cyclohexylurea?
The canonical SMILES for 1-carbamothioyl-1-cyclohexylurea is NC(=O)N(C(N)=S)C1CCCCC1.
What is the InChIKey of 1-carbamothioyl-1-cyclohexylurea?
The InChIKey is FUXREYNRXISHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c9-7(12)11(8(10)13)6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,12)(H2,10,13).
What are the key properties of 1-carbamothioyl-1-cyclohexylurea?
1-carbamothioyl-1-cyclohexylurea has a molecular weight of 201.29 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-1-cyclohexylurea is sourced from PubChem (CID 175078578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).