1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea

C15H24N2O2S — CID 97087338

IUPAC1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
SMILESC[C@@H](CNC(=O)N[C@H](C)C1CCOCC1)c1cccs1
InChIInChI=1S/C15H24N2O2S/c1-11(14-4-3-9-20-14)10-16-15(18)17-12(2)13-5-7-19-8-6-13/h3-4,9,11-13H,5-8,10H2,1-2H3,(H2,16,17,18)/t11-,12+/m0/s1
InChIKeyXPYZKOYUKHIUGX-NWDGAFQWSA-N
MW296.44 g/mol
LogP2.97
Rot. Bonds5

About 1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea

1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea (PubChem CID 97087338) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
PubChem CID97087338
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
SMILESC[C@@H](CNC(=O)N[C@H](C)C1CCOCC1)c1cccs1
InChIInChI=1S/C15H24N2O2S/c1-11(14-4-3-9-20-14)10-16-15(18)17-12(2)13-5-7-19-8-6-13/h3-4,9,11-13H,5-8,10H2,1-2H3,(H2,16,17,18)/t11-,12+/m0/s1
InChIKeyXPYZKOYUKHIUGX-NWDGAFQWSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea with MolForge

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Related Compounds

1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498
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CID 71868184
1-[(2R)-2-morpholin-4-ylpropyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 94028317
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea
CID 75504510
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95134541
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2-thiophen-2-ylpropyl)urea
CID 111444208
N-(1-cyclopentylethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722143
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 100840537
1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 124575953
N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
CID 30971824
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CID 115285548

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea?
The IUPAC name of 1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea (CID 97087338) is 1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea.
What is the SMILES notation for 1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea?
The canonical SMILES for 1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea is C[C@@H](CNC(=O)N[C@H](C)C1CCOCC1)c1cccs1.
What is the InChIKey of 1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea?
The InChIKey is XPYZKOYUKHIUGX-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(14-4-3-9-20-14)10-16-15(18)17-12(2)13-5-7-19-8-6-13/h3-4,9,11-13H,5-8,10H2,1-2H3,(H2,16,17,18)/t11-,12+/m0/s1.
What are the key properties of 1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea?
1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea has a molecular weight of 296.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea is sourced from PubChem (CID 97087338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).