1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea

C13H21N3O2S — CID 47218856

IUPAC1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
SMILESCC(CN1CCOCC1)NC(=O)NCc1cccs1
InChIInChI=1S/C13H21N3O2S/c1-11(10-16-4-6-18-7-5-16)15-13(17)14-9-12-3-2-8-19-12/h2-3,8,11H,4-7,9-10H2,1H3,(H2,14,15,17)
InChIKeyQPVIFBUQCVHXNR-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.27
Rot. Bonds5

About 1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea

1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 47218856) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
PubChem CID47218856
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
SMILESCC(CN1CCOCC1)NC(=O)NCc1cccs1
InChIInChI=1S/C13H21N3O2S/c1-11(10-16-4-6-18-7-5-16)15-13(17)14-9-12-3-2-8-19-12/h2-3,8,11H,4-7,9-10H2,1H3,(H2,14,15,17)
InChIKeyQPVIFBUQCVHXNR-UHFFFAOYSA-N
XLogP1.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 131904680
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111837176
1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 94744411
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 51082870
1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 129470856
(3R)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide
CID 94116517
(3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide
CID 94116515
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea
CID 94029349
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498
2-(2-hydroxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 78990786
(2S,3R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 104965843

Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea (CID 47218856) is 1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea is CC(CN1CCOCC1)NC(=O)NCc1cccs1.
What is the InChIKey of 1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is QPVIFBUQCVHXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-11(10-16-4-6-18-7-5-16)15-13(17)14-9-12-3-2-8-19-12/h2-3,8,11H,4-7,9-10H2,1H3,(H2,14,15,17).
What are the key properties of 1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea?
1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 283.40 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 47218856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).