1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea

C20H31N3OS — CID 60606675

IUPAC1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
SMILESO=C(NCC1CCCCC1)Nc1ccc(CCN2CCSCC2)cc1
InChIInChI=1S/C20H31N3OS/c24-20(21-16-18-4-2-1-3-5-18)22-19-8-6-17(7-9-19)10-11-23-12-14-25-15-13-23/h6-9,18H,1-5,10-16H2,(H2,21,22,24)
InChIKeyVXLIHYRJPXWQDI-UHFFFAOYSA-N
MW361.56 g/mol
LogP3.98
Rot. Bonds6

About 1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea

1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea (PubChem CID 60606675) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
PubChem CID60606675
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC Name1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
SMILESO=C(NCC1CCCCC1)Nc1ccc(CCN2CCSCC2)cc1
InChIInChI=1S/C20H31N3OS/c24-20(21-16-18-4-2-1-3-5-18)22-19-8-6-17(7-9-19)10-11-23-12-14-25-15-13-23/h6-9,18H,1-5,10-16H2,(H2,21,22,24)
InChIKeyVXLIHYRJPXWQDI-UHFFFAOYSA-N
XLogP3.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60611862
1-(cyclobutylmethyl)-3-(4-propylphenyl)urea
CID 112824904
(3R)-3-hydroxy-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-1-carboxamide
CID 95286627
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid
CID 115340644
3-amino-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119869842
2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
CID 61197827
1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 95304132
1-[2-(3-methylphenoxy)ethyl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60604711
1-(1,3-benzodioxol-5-yl)-3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]urea
CID 22430469
4-[4-(2-thiomorpholin-4-ylethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029744

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea?
The IUPAC name of 1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea (CID 60606675) is 1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea is O=C(NCC1CCCCC1)Nc1ccc(CCN2CCSCC2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea?
The InChIKey is VXLIHYRJPXWQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS/c24-20(21-16-18-4-2-1-3-5-18)22-19-8-6-17(7-9-19)10-11-23-12-14-25-15-13-23/h6-9,18H,1-5,10-16H2,(H2,21,22,24).
What are the key properties of 1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea?
1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea has a molecular weight of 361.56 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea is sourced from PubChem (CID 60606675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).