1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea

C12H18N2O2S — CID 17181655

IUPAC1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)NCC1CCCO1)c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-9(11-5-3-7-17-11)14-12(15)13-8-10-4-2-6-16-10/h3,5,7,9-10H,2,4,6,8H2,1H3,(H2,13,14,15)
InChIKeyQFXLLJVRAMCGHT-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.29
Rot. Bonds4

About 1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea

1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea (PubChem CID 17181655) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea
PubChem CID17181655
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)NCC1CCCO1)c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-9(11-5-3-7-17-11)14-12(15)13-8-10-4-2-6-16-10/h3,5,7,9-10H,2,4,6,8H2,1H3,(H2,13,14,15)
InChIKeyQFXLLJVRAMCGHT-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea (CID 17181655) is 1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea is CC(NC(=O)NCC1CCCO1)c1cccs1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea?
The InChIKey is QFXLLJVRAMCGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(11-5-3-7-17-11)14-12(15)13-8-10-4-2-6-16-10/h3,5,7,9-10H,2,4,6,8H2,1H3,(H2,13,14,15).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea?
1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea has a molecular weight of 254.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 17181655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).