1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea

C14H20N2O2S — CID 110904170

IUPAC1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea
SMILESCSc1ccc(CNC(=O)N(CCO)C2CC2)cc1
InChIInChI=1S/C14H20N2O2S/c1-19-13-6-2-11(3-7-13)10-15-14(18)16(8-9-17)12-4-5-12/h2-3,6-7,12,17H,4-5,8-10H2,1H3,(H,15,18)
InChIKeyAQXHOOSLRWLESJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.07
Rot. Bonds6

About 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea

1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea (PubChem CID 110904170) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea
PubChem CID110904170
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea
SMILESCSc1ccc(CNC(=O)N(CCO)C2CC2)cc1
InChIInChI=1S/C14H20N2O2S/c1-19-13-6-2-11(3-7-13)10-15-14(18)16(8-9-17)12-4-5-12/h2-3,6-7,12,17H,4-5,8-10H2,1H3,(H,15,18)
InChIKeyAQXHOOSLRWLESJ-UHFFFAOYSA-N
XLogP2.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(acetylamino)-N-(2-hydroxyethyl)-N-[4-(methylthio)benzyl]propanamide
CID 46992186
1-(2-Hydroxy-3-methoxypropyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]urea
CID 53506346
2-Methyl-2-({[4-(methylsulfanyl)phenyl]methyl}amino)propan-1-OL
CID 834595
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 71864363
3-hydroxy-N-[(4-methylsulfanylphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 71864364
1-cyclopropyl-3-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-(2-hydroxyethyl)urea
CID 71940760
(3R)-3-hydroxy-N-[(4-methylsulfanylphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 96525180
(3S)-3-hydroxy-N-[(4-methylsulfanylphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 96525181
1-cyclopropyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-(2-hydroxyethyl)urea
CID 97013529
1-cyclopropyl-3-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-(2-hydroxyethyl)urea
CID 97013530
3-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 109923151
3-[[4-Fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 109924644

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea (CID 110904170) is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea is CSc1ccc(CNC(=O)N(CCO)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea?
The InChIKey is AQXHOOSLRWLESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-19-13-6-2-11(3-7-13)10-15-14(18)16(8-9-17)12-4-5-12/h2-3,6-7,12,17H,4-5,8-10H2,1H3,(H,15,18).
What are the key properties of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea?
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea has a molecular weight of 280.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea is sourced from PubChem (CID 110904170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).