1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea

C15H22N2OS — CID 38268942

IUPAC1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
SMILESCSc1ccc([C@@H](C)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-11(12-7-9-14(19-2)10-8-12)16-15(18)17-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H2,16,17,18)/t11-/m1/s1
InChIKeyOKQGAYFGAREKQM-LLVKDONJSA-N
MW278.42 g/mol
LogP3.71
Rot. Bonds4

About 1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea

1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea (PubChem CID 38268942) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
PubChem CID38268942
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
SMILESCSc1ccc([C@@H](C)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-11(12-7-9-14(19-2)10-8-12)16-15(18)17-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H2,16,17,18)/t11-/m1/s1
InChIKeyOKQGAYFGAREKQM-LLVKDONJSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
1-cyclohexyl-3-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]urea
CID 100744989
2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide
CID 62224974
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
CID 34483284
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine
CID 43189980
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea (CID 38268942) is 1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea is CSc1ccc([C@@H](C)NC(=O)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea?
The InChIKey is OKQGAYFGAREKQM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(12-7-9-14(19-2)10-8-12)16-15(18)17-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H2,16,17,18)/t11-/m1/s1.
What are the key properties of 1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea?
1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea has a molecular weight of 278.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea is sourced from PubChem (CID 38268942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).