1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea

C14H20N2O2S — CID 91812758

IUPAC1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
SMILESO=C(NCC1CCCO1)NCC1(c2cccs2)CC1
InChIInChI=1S/C14H20N2O2S/c17-13(15-9-11-3-1-7-18-11)16-10-14(5-6-14)12-4-2-8-19-12/h2,4,8,11H,1,3,5-7,9-10H2,(H2,15,16,17)
InChIKeyQSPCZNOEHPYQAV-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.26
Rot. Bonds5

About 1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea

1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea (PubChem CID 91812758) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
PubChem CID91812758
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
SMILESO=C(NCC1CCCO1)NCC1(c2cccs2)CC1
InChIInChI=1S/C14H20N2O2S/c17-13(15-9-11-3-1-7-18-11)16-10-14(5-6-14)12-4-2-8-19-12/h2,4,8,11H,1,3,5-7,9-10H2,(H2,15,16,17)
InChIKeyQSPCZNOEHPYQAV-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea with MolForge

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Related Compounds

1-(2-Methoxyethyl)-3-((1-(thiophen-2-yl)cyclopropyl)methyl)urea
CID 45561617
1-(2-methoxyethyl)-3-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)urea
CID 45497269
1-(tetrahydro-2H-pyran-4-yl)-3-((1-(thiophen-2-yl)cyclopropyl)methyl)urea
CID 91812757
1-[(5-methylthiophen-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 93915924
(3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide
CID 164632861
1-(2-Methyl-2-thiophen-2-ylpropyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 72013711
1-cyclopropyl-3-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)urea
CID 45497268
1-ethyl-3-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)urea
CID 45561791
1-allyl-3-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)urea
CID 45561792
1-[2-(4,5-Dimethylthiophen-3-yl)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 53299113
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-(2-methyl-2-thiophen-2-ylpropyl)urea
CID 72134695
1-(Oxolan-2-ylmethyl)-3-(1-thiophen-2-ylethyl)urea
CID 17181655

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea (CID 91812758) is 1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea is O=C(NCC1CCCO1)NCC1(c2cccs2)CC1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea?
The InChIKey is QSPCZNOEHPYQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-13(15-9-11-3-1-7-18-11)16-10-14(5-6-14)12-4-2-8-19-12/h2,4,8,11H,1,3,5-7,9-10H2,(H2,15,16,17).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea?
1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea has a molecular weight of 280.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea is sourced from PubChem (CID 91812758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).