3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea

C19H22N2O2S — CID 91649259

IUPAC3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea
SMILESCC(CS(C)=O)N(C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H22N2O2S/c1-13(12-24(3)23)21(2)19(22)20-16-8-9-18-15(11-16)10-14-6-4-5-7-17(14)18/h4-9,11,13H,10,12H2,1-3H3,(H,20,22)
InChIKeyIKHKUPIXSXNIMB-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.49
Rot. Bonds4

About 3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea

3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea (PubChem CID 91649259) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea.

Molecular Properties

Compound Name3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea
PubChem CID91649259
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea
SMILESCC(CS(C)=O)N(C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H22N2O2S/c1-13(12-24(3)23)21(2)19(22)20-16-8-9-18-15(11-16)10-14-6-4-5-7-17(14)18/h4-9,11,13H,10,12H2,1-3H3,(H,20,22)
InChIKeyIKHKUPIXSXNIMB-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methylsulfanylphenyl)-1-methyl-1-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99715554
3-(4-ethyl-3-fluorophenyl)-1-methyl-1-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99581371
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327
N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide
CID 86987567
3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea
CID 75470123
2-amino-N-(9H-fluoren-2-yl)pentanamide
CID 43650050
3-(2,6-diethylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99697996
ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate
CID 3033193
2-ethyl-N-[7-(2-ethylbutanoylamino)-9H-fluoren-2-yl]butanamide
CID 9320374
(2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid
CID 11369932
N-(9H-fluoren-2-ylcarbamothioyl)acetamide
CID 17099951
N-pentan-3-yl-9H-fluoren-2-amine
CID 28555753

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea?
The IUPAC name of 3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea (CID 91649259) is 3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea.
What is the SMILES notation for 3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea?
The canonical SMILES for 3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea is CC(CS(C)=O)N(C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea?
The InChIKey is IKHKUPIXSXNIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13(12-24(3)23)21(2)19(22)20-16-8-9-18-15(11-16)10-14-6-4-5-7-17(14)18/h4-9,11,13H,10,12H2,1-3H3,(H,20,22).
What are the key properties of 3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea?
3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea has a molecular weight of 342.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea is sourced from PubChem (CID 91649259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).