1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea

C15H20ClN3OS — CID 61124429

IUPAC1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea
SMILESNC(=S)C(NC(=O)Nc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H20ClN3OS/c16-11-7-4-8-12(9-11)18-15(20)19-13(14(17)21)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6H2,(H2,17,21)(H2,18,19,20)
InChIKeyPZWMZVLGYNFKGK-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.70
Rot. Bonds4

About 1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea

1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea (PubChem CID 61124429) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea
PubChem CID61124429
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea
SMILESNC(=S)C(NC(=O)Nc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H20ClN3OS/c16-11-7-4-8-12(9-11)18-15(20)19-13(14(17)21)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6H2,(H2,17,21)(H2,18,19,20)
InChIKeyPZWMZVLGYNFKGK-UHFFFAOYSA-N
XLogP3.70
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-methylphenyl)urea
CID 61124232
2-(3-chloroanilino)-2-cyclohexylacetamide
CID 54892064
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(3-chlorophenyl)urea
CID 61122602
1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea
CID 90498971
1-(2-carbamothioylcyclopentyl)-3-(3-chlorophenyl)urea
CID 55152530
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-chloro-2-hydroxybenzamide
CID 61122009
1-(3-chlorophenyl)-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 54262033
1-(3-chlorophenyl)-3-[(1R,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 57171555
2-(3-chloroanilino)-2-cyclopentylacetic acid
CID 55035047
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide
CID 61123998
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide
CID 61124988
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide
CID 107938934

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea (CID 61124429) is 1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea is NC(=S)C(NC(=O)Nc1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of 1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea?
The InChIKey is PZWMZVLGYNFKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c16-11-7-4-8-12(9-11)18-15(20)19-13(14(17)21)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6H2,(H2,17,21)(H2,18,19,20).
What are the key properties of 1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea?
1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea has a molecular weight of 325.87 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea is sourced from PubChem (CID 61124429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).