1-cyclopentyl-1-(thiophen-2-ylmethyl)urea

C11H16N2OS — CID 162459045

IUPAC1-cyclopentyl-1-(thiophen-2-ylmethyl)urea
SMILESNC(=O)N(Cc1cccs1)C1CCCC1
InChIInChI=1S/C11H16N2OS/c12-11(14)13(9-4-1-2-5-9)8-10-6-3-7-15-10/h3,6-7,9H,1-2,4-5,8H2,(H2,12,14)
InChIKeyOTHZMWZYRNGEMG-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.57
Rot. Bonds3

About 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea

1-cyclopentyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 162459045) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-1-(thiophen-2-ylmethyl)urea
PubChem CID162459045
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-cyclopentyl-1-(thiophen-2-ylmethyl)urea
SMILESNC(=O)N(Cc1cccs1)C1CCCC1
InChIInChI=1S/C11H16N2OS/c12-11(14)13(9-4-1-2-5-9)8-10-6-3-7-15-10/h3,6-7,9H,1-2,4-5,8H2,(H2,12,14)
InChIKeyOTHZMWZYRNGEMG-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea (CID 162459045) is 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea is NC(=O)N(Cc1cccs1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is OTHZMWZYRNGEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-11(14)13(9-4-1-2-5-9)8-10-6-3-7-15-10/h3,6-7,9H,1-2,4-5,8H2,(H2,12,14).
What are the key properties of 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea?
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 224.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 162459045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).