1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea

C16H24N2O2S — CID 110007137

IUPAC1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESCCSC1CCC(NC(=O)N[C@H](CO)c2ccccc2)C1
InChIInChI=1S/C16H24N2O2S/c1-2-21-14-9-8-13(10-14)17-16(20)18-15(11-19)12-6-4-3-5-7-12/h3-7,13-15,19H,2,8-11H2,1H3,(H2,17,18,20)/t13?,14?,15-/m1/s1
InChIKeyLOAMOMANUDJZJM-YMAMQOFZSA-N
MW308.45 g/mol
LogP2.69
Rot. Bonds6

About 1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea

1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea (PubChem CID 110007137) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
PubChem CID110007137
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESCCSC1CCC(NC(=O)N[C@H](CO)c2ccccc2)C1
InChIInChI=1S/C16H24N2O2S/c1-2-21-14-9-8-13(10-14)17-16(20)18-15(11-19)12-6-4-3-5-7-12/h3-7,13-15,19H,2,8-11H2,1H3,(H2,17,18,20)/t13?,14?,15-/m1/s1
InChIKeyLOAMOMANUDJZJM-YMAMQOFZSA-N
XLogP2.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111751211
1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75483809
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111841049
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea
CID 111509432
2-[(3-ethylsulfanylcyclopentyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114124148
2-[(3-ethylsulfanylcyclopentyl)carbamoylamino]-3-methylbutanoic acid
CID 113364179
2-[(3-ethylsulfanylcyclopentyl)amino]-1-phenylethanol
CID 114123586
1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea
CID 111106612
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea
CID 124866784
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 95969050

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The IUPAC name of 1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea (CID 110007137) is 1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea.
What is the SMILES notation for 1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The canonical SMILES for 1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea is CCSC1CCC(NC(=O)N[C@H](CO)c2ccccc2)C1.
What is the InChIKey of 1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The InChIKey is LOAMOMANUDJZJM-YMAMQOFZSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-21-14-9-8-13(10-14)17-16(20)18-15(11-19)12-6-4-3-5-7-12/h3-7,13-15,19H,2,8-11H2,1H3,(H2,17,18,20)/t13?,14?,15-/m1/s1.
What are the key properties of 1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea has a molecular weight of 308.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea is sourced from PubChem (CID 110007137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).