1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea

C15H22N2O2S — CID 95347748

IUPAC1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea
SMILESO=C(NCC[S@@](=O)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H22N2O2S/c18-15(17-13-7-3-1-4-8-13)16-11-12-20(19)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H2,16,17,18)/t20-/m1/s1
InChIKeyMDDMQCMRJFGPBE-HXUWFJFHSA-N
MW294.42 g/mol
LogP2.43
Rot. Bonds5

About 1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea

1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea (PubChem CID 95347748) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea
PubChem CID95347748
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea
SMILESO=C(NCC[S@@](=O)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H22N2O2S/c18-15(17-13-7-3-1-4-8-13)16-11-12-20(19)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H2,16,17,18)/t20-/m1/s1
InChIKeyMDDMQCMRJFGPBE-HXUWFJFHSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22978773
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-phenylacetamide
CID 113057217
1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112417
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
1-cyclohexyl-3-[2-(2-nitroanilino)ethyl]urea
CID 47009180
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea
CID 46588795
N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide
CID 97228059
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578
1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
CID 62663846

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea (CID 95347748) is 1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea is O=C(NCC[S@@](=O)c1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea?
The InChIKey is MDDMQCMRJFGPBE-HXUWFJFHSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-15(17-13-7-3-1-4-8-13)16-11-12-20(19)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H2,16,17,18)/t20-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea?
1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea has a molecular weight of 294.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea is sourced from PubChem (CID 95347748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).