1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea

C11H18N2O2S — CID 110896077

IUPAC1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea
SMILESCCCN(CCO)C(=O)NCc1ccsc1
InChIInChI=1S/C11H18N2O2S/c1-2-4-13(5-6-14)11(15)12-8-10-3-7-16-9-10/h3,7,9,14H,2,4-6,8H2,1H3,(H,12,15)
InChIKeyQNTBBCWNGQZBBO-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.66
Rot. Bonds6

About 1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea

1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea (PubChem CID 110896077) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea
PubChem CID110896077
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea
SMILESCCCN(CCO)C(=O)NCc1ccsc1
InChIInChI=1S/C11H18N2O2S/c1-2-4-13(5-6-14)11(15)12-8-10-3-7-16-9-10/h3,7,9,14H,2,4-6,8H2,1H3,(H,12,15)
InChIKeyQNTBBCWNGQZBBO-UHFFFAOYSA-N
XLogP1.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea (CID 110896077) is 1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea is CCCN(CCO)C(=O)NCc1ccsc1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea?
The InChIKey is QNTBBCWNGQZBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-4-13(5-6-14)11(15)12-8-10-3-7-16-9-10/h3,7,9,14H,2,4-6,8H2,1H3,(H,12,15).
What are the key properties of 1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea?
1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea has a molecular weight of 242.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 110896077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).