1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea

C14H24N2O2S — CID 75385788

IUPAC1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea
SMILESCCC(C)(CCO)NC(=O)NCC(C)c1ccsc1
InChIInChI=1S/C14H24N2O2S/c1-4-14(3,6-7-17)16-13(18)15-9-11(2)12-5-8-19-10-12/h5,8,10-11,17H,4,6-7,9H2,1-3H3,(H2,15,16,18)
InChIKeyRMYYBZQSAUGCFV-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.70
Rot. Bonds7

About 1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea

1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea (PubChem CID 75385788) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea
PubChem CID75385788
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea
SMILESCCC(C)(CCO)NC(=O)NCC(C)c1ccsc1
InChIInChI=1S/C14H24N2O2S/c1-4-14(3,6-7-17)16-13(18)15-9-11(2)12-5-8-19-10-12/h5,8,10-11,17H,4,6-7,9H2,1-3H3,(H2,15,16,18)
InChIKeyRMYYBZQSAUGCFV-UHFFFAOYSA-N
XLogP2.70
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea?
The IUPAC name of 1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea (CID 75385788) is 1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea.
What is the SMILES notation for 1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea?
The canonical SMILES for 1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea is CCC(C)(CCO)NC(=O)NCC(C)c1ccsc1.
What is the InChIKey of 1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea?
The InChIKey is RMYYBZQSAUGCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-14(3,6-7-17)16-13(18)15-9-11(2)12-5-8-19-10-12/h5,8,10-11,17H,4,6-7,9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea?
1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea has a molecular weight of 284.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3-methylpentan-3-yl)-3-(2-thiophen-3-ylpropyl)urea is sourced from PubChem (CID 75385788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).