1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea

C14H22N2O2S — CID 90610825

IUPAC1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea
SMILESCC(C)NC(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C14H22N2O2S/c1-11(2)15-14(17)16(10-13-4-3-9-19-13)12-5-7-18-8-6-12/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,15,17)
InChIKeyFIEVBBCNPMJIIR-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.85
Rot. Bonds4

About 1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea

1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea (PubChem CID 90610825) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea
PubChem CID90610825
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea
SMILESCC(C)NC(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C14H22N2O2S/c1-11(2)15-14(17)16(10-13-4-3-9-19-13)12-5-7-18-8-6-12/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,15,17)
InChIKeyFIEVBBCNPMJIIR-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea (CID 90610825) is 1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea is CC(C)NC(=O)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is FIEVBBCNPMJIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)15-14(17)16(10-13-4-3-9-19-13)12-5-7-18-8-6-12/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,15,17).
What are the key properties of 1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea?
1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 282.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-propan-2-yl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 90610825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).