1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea

C13H20N2O3S — CID 95770393

IUPAC1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCOC[C@@H]1CCCO1)NCc1cccs1
InChIInChI=1S/C13H20N2O3S/c16-13(15-9-12-4-2-8-19-12)14-5-7-17-10-11-3-1-6-18-11/h2,4,8,11H,1,3,5-7,9-10H2,(H2,14,15,16)/t11-/m0/s1
InChIKeyHNUNVLHHCXCOJS-NSHDSACASA-N
MW284.38 g/mol
LogP1.74
Rot. Bonds7

About 1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea

1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 95770393) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID95770393
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCOC[C@@H]1CCCO1)NCc1cccs1
InChIInChI=1S/C13H20N2O3S/c16-13(15-9-12-4-2-8-19-12)14-5-7-17-10-11-3-1-6-18-11/h2,4,8,11H,1,3,5-7,9-10H2,(H2,14,15,16)/t11-/m0/s1
InChIKeyHNUNVLHHCXCOJS-NSHDSACASA-N
XLogP1.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62572494
2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111783436
1-(2-methoxyethyl)-3-[2-(oxolan-2-ylmethoxy)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 75423689
1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea
CID 47148470
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 38164885
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111407533
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
1-(oxolan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2956318
1-[[(2S)-oxolan-2-yl]methyl]-3-(thiophen-2-ylmethyl)thiourea
CID 970924
1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 110706626
1-[(1-benzylpyrazol-4-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 87002771

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea (CID 95770393) is 1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCCOC[C@@H]1CCCO1)NCc1cccs1.
What is the InChIKey of 1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is HNUNVLHHCXCOJS-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-13(15-9-12-4-2-8-19-12)14-5-7-17-10-11-3-1-6-18-11/h2,4,8,11H,1,3,5-7,9-10H2,(H2,14,15,16)/t11-/m0/s1.
What are the key properties of 1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 284.38 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 95770393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).