1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea

C16H24N2O2S — CID 138022543

IUPAC1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea
SMILESO=C(NCCc1ccsc1)NC1CCOC12CCCCC2
InChIInChI=1S/C16H24N2O2S/c19-15(17-9-4-13-6-11-21-12-13)18-14-5-10-20-16(14)7-2-1-3-8-16/h6,11-12,14H,1-5,7-10H2,(H2,17,18,19)
InChIKeyCGFPIEMMFPHQFD-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.08
Rot. Bonds4

About 1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea

1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea (PubChem CID 138022543) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea
PubChem CID138022543
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea
SMILESO=C(NCCc1ccsc1)NC1CCOC12CCCCC2
InChIInChI=1S/C16H24N2O2S/c19-15(17-9-4-13-6-11-21-12-13)18-14-5-10-20-16(14)7-2-1-3-8-16/h6,11-12,14H,1-5,7-10H2,(H2,17,18,19)
InChIKeyCGFPIEMMFPHQFD-UHFFFAOYSA-N
XLogP3.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64816532
1-(2-oxoazepan-3-yl)-3-(2-thiophen-3-ylethyl)urea
CID 47248756
cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319451
2-hydroxy-N-(2-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 110015235
1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-3-(1-oxaspiro[4.5]decan-4-yl)urea
CID 139019482
1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
CID 115448466
(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide
CID 61474678
1-[(3-hydroxythiolan-3-yl)methyl]-3-(2-thiophen-3-ylethyl)urea
CID 111618538
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide
CID 170939358
7-amino-8,8-dimethyl-N-(2-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945819
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide
CID 94220216

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea (CID 138022543) is 1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea is O=C(NCCc1ccsc1)NC1CCOC12CCCCC2.
What is the InChIKey of 1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea?
The InChIKey is CGFPIEMMFPHQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-15(17-9-4-13-6-11-21-12-13)18-14-5-10-20-16(14)7-2-1-3-8-16/h6,11-12,14H,1-5,7-10H2,(H2,17,18,19).
What are the key properties of 1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea?
1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea has a molecular weight of 308.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 138022543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).