1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea

C14H22N2O2S — CID 56764079

IUPAC1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
SMILESCc1ccsc1C(O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-10-7-8-19-13(10)12(17)9-15-14(18)16-11-5-3-2-4-6-11/h7-8,11-12,17H,2-6,9H2,1H3,(H2,15,16,18)
InChIKeyIOWFSKQDDOFKHX-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.72
Rot. Bonds4

About 1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea

1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea (PubChem CID 56764079) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
PubChem CID56764079
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
SMILESCc1ccsc1C(O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-10-7-8-19-13(10)12(17)9-15-14(18)16-11-5-3-2-4-6-11/h7-8,11-12,17H,2-6,9H2,1H3,(H2,15,16,18)
InChIKeyIOWFSKQDDOFKHX-UHFFFAOYSA-N
XLogP2.72
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea (CID 56764079) is 1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea is Cc1ccsc1C(O)CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea?
The InChIKey is IOWFSKQDDOFKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-7-8-19-13(10)12(17)9-15-14(18)16-11-5-3-2-4-6-11/h7-8,11-12,17H,2-6,9H2,1H3,(H2,15,16,18).
What are the key properties of 1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea?
1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea has a molecular weight of 282.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea is sourced from PubChem (CID 56764079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).