1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea

C16H25N3OS — CID 43551185

IUPAC1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea
SMILESCCCSc1ccc(N)c(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H25N3OS/c1-2-10-21-13-8-9-14(17)15(11-13)19-16(20)18-12-6-4-3-5-7-12/h8-9,11-12H,2-7,10,17H2,1H3,(H2,18,19,20)
InChIKeyYTRMWTMVOMPCCI-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.23
Rot. Bonds5

About 1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea

1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea (PubChem CID 43551185) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea
PubChem CID43551185
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea
SMILESCCCSc1ccc(N)c(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H25N3OS/c1-2-10-21-13-8-9-14(17)15(11-13)19-16(20)18-12-6-4-3-5-7-12/h8-9,11-12H,2-7,10,17H2,1H3,(H2,18,19,20)
InChIKeyYTRMWTMVOMPCCI-UHFFFAOYSA-N
XLogP4.23
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide
CID 107174821
N-(2-amino-5-propylsulfanylphenyl)-1,4-dioxane-2-carboxamide
CID 62799710
1-cyclohexyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 18578423
2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79148069
2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide
CID 79148174
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
propyl 2-(cyclohexylcarbamoylamino)benzoate
CID 122389649
1-(5-amino-2-bromo-4-methylphenyl)-3-cyclohexylurea
CID 104814743
4-amino-2-(cyclohexylcarbamoylamino)benzoic acid
CID 63116079
1-cyclohexyl-3-(2-methoxy-5-propylphenyl)urea
CID 146221893

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea?
The IUPAC name of 1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea (CID 43551185) is 1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea is CCCSc1ccc(N)c(NC(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea?
The InChIKey is YTRMWTMVOMPCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-10-21-13-8-9-14(17)15(11-13)19-16(20)18-12-6-4-3-5-7-12/h8-9,11-12H,2-7,10,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea?
1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea has a molecular weight of 307.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea is sourced from PubChem (CID 43551185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).