1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea

C15H22N2O2S — CID 124866784

IUPAC1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea
SMILESCS[C@@H]1CCC[C@H]1NC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C15H22N2O2S/c1-20-14-9-5-8-12(14)16-15(19)17-13(10-18)11-6-3-2-4-7-11/h2-4,6-7,12-14,18H,5,8-10H2,1H3,(H2,16,17,19)/t12-,13-,14-/m1/s1
InChIKeyJDHCXGCWEDTZQO-MGPQQGTHSA-N
MW294.42 g/mol
LogP2.30
Rot. Bonds5

About 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea (PubChem CID 124866784) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea.

Molecular Properties

Compound Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea
PubChem CID124866784
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea
SMILESCS[C@@H]1CCC[C@H]1NC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C15H22N2O2S/c1-20-14-9-5-8-12(14)16-15(19)17-13(10-18)11-6-3-2-4-7-11/h2-4,6-7,12-14,18H,5,8-10H2,1H3,(H2,16,17,19)/t12-,13-,14-/m1/s1
InChIKeyJDHCXGCWEDTZQO-MGPQQGTHSA-N
XLogP2.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea
CID 111509432
1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111751211
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75483809
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 110007137
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111841049
1-[(2S)-4-methylsulfanylbutan-2-yl]-3-[(1R,2S)-2-methylsulfanylcyclopentyl]urea
CID 96518851
3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile
CID 114121615
1-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methylsulfanylcyclopentyl)urea
CID 71990385

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea?
The IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea (CID 124866784) is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea.
What is the SMILES notation for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea?
The canonical SMILES for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea is CS[C@@H]1CCC[C@H]1NC(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea?
The InChIKey is JDHCXGCWEDTZQO-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-20-14-9-5-8-12(14)16-15(19)17-13(10-18)11-6-3-2-4-7-11/h2-4,6-7,12-14,18H,5,8-10H2,1H3,(H2,16,17,19)/t12-,13-,14-/m1/s1.
What are the key properties of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea?
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea has a molecular weight of 294.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea is sourced from PubChem (CID 124866784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).