1-cyclohexyl-3-(2-methylsulfinylethyl)urea

C10H20N2O2S — CID 56793075

IUPAC1-cyclohexyl-3-(2-methylsulfinylethyl)urea
SMILESCS(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C10H20N2O2S/c1-15(14)8-7-11-10(13)12-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyGPKULRORBDMFJP-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.00
Rot. Bonds4

About 1-cyclohexyl-3-(2-methylsulfinylethyl)urea

1-cyclohexyl-3-(2-methylsulfinylethyl)urea (PubChem CID 56793075) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-methylsulfinylethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-methylsulfinylethyl)urea
PubChem CID56793075
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-cyclohexyl-3-(2-methylsulfinylethyl)urea
SMILESCS(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C10H20N2O2S/c1-15(14)8-7-11-10(13)12-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyGPKULRORBDMFJP-UHFFFAOYSA-N
XLogP1.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-methylsulfinylethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-methylsulfinylethyl)urea (CID 56793075) is 1-cyclohexyl-3-(2-methylsulfinylethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-methylsulfinylethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-methylsulfinylethyl)urea is CS(=O)CCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-methylsulfinylethyl)urea?
The InChIKey is GPKULRORBDMFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-15(14)8-7-11-10(13)12-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,11,12,13).
What are the key properties of 1-cyclohexyl-3-(2-methylsulfinylethyl)urea?
1-cyclohexyl-3-(2-methylsulfinylethyl)urea has a molecular weight of 232.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-methylsulfinylethyl)urea is sourced from PubChem (CID 56793075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).