3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea

C14H28N2O3S — CID 111934138

IUPAC3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NC1CCCCC1S(=O)CC
InChIInChI=1S/C14H28N2O3S/c1-3-9-16(10-11-17)14(18)15-12-7-5-6-8-13(12)20(19)4-2/h12-13,17H,3-11H2,1-2H3,(H,15,18)
InChIKeySMEWDEMIOCHKDM-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.48
Rot. Bonds7

About 3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea

3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 111934138) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea
PubChem CID111934138
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NC1CCCCC1S(=O)CC
InChIInChI=1S/C14H28N2O3S/c1-3-9-16(10-11-17)14(18)15-12-7-5-6-8-13(12)20(19)4-2/h12-13,17H,3-11H2,1-2H3,(H,15,18)
InChIKeySMEWDEMIOCHKDM-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea (CID 111934138) is 3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)NC1CCCCC1S(=O)CC.
What is the InChIKey of 3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is SMEWDEMIOCHKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-3-9-16(10-11-17)14(18)15-12-7-5-6-8-13(12)20(19)4-2/h12-13,17H,3-11H2,1-2H3,(H,15,18).
What are the key properties of 3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea?
3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 304.46 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 111934138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).