1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea

C11H16N2O2S — CID 95581392

IUPAC1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
SMILESNC(=O)N(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C11H16N2O2S/c12-11(14)13(7-9-3-1-5-15-9)8-10-4-2-6-16-10/h2,4,6,9H,1,3,5,7-8H2,(H2,12,14)/t9-/m1/s1
InChIKeyDPHKMEAJPFDPGS-SECBINFHSA-N
MW240.33 g/mol
LogP1.81
Rot. Bonds4

About 1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea

1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea (PubChem CID 95581392) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
PubChem CID95581392
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
SMILESNC(=O)N(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C11H16N2O2S/c12-11(14)13(7-9-3-1-5-15-9)8-10-4-2-6-16-10/h2,4,6,9H,1,3,5,7-8H2,(H2,12,14)/t9-/m1/s1
InChIKeyDPHKMEAJPFDPGS-SECBINFHSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869247
(E)-4-oxo-4-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]but-2-enoic acid
CID 60953299
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 55456224
2-amino-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pentanamide
CID 60936821
4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79208816
1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea
CID 94179313
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 78810035
(3S)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81126276
3,4-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60601065
N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea (CID 95581392) is 1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea is NC(=O)N(Cc1cccs1)C[C@H]1CCCO1.
What is the InChIKey of 1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea?
The InChIKey is DPHKMEAJPFDPGS-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-11(14)13(7-9-3-1-5-15-9)8-10-4-2-6-16-10/h2,4,6,9H,1,3,5,7-8H2,(H2,12,14)/t9-/m1/s1.
What are the key properties of 1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea?
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea has a molecular weight of 240.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 95581392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).