1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea

C11H16N2O3S — CID 111617573

IUPAC1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea
SMILESCC(CO)NC(=O)Nc1ccc(S(C)=O)cc1
InChIInChI=1S/C11H16N2O3S/c1-8(7-14)12-11(15)13-9-3-5-10(6-4-9)17(2)16/h3-6,8,14H,7H2,1-2H3,(H2,12,13,15)
InChIKeyMNRCTSVAUGXIQR-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.93
Rot. Bonds4

About 1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea

1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea (PubChem CID 111617573) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea
PubChem CID111617573
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea
SMILESCC(CO)NC(=O)Nc1ccc(S(C)=O)cc1
InChIInChI=1S/C11H16N2O3S/c1-8(7-14)12-11(15)13-9-3-5-10(6-4-9)17(2)16/h3-6,8,14H,7H2,1-2H3,(H2,12,13,15)
InChIKeyMNRCTSVAUGXIQR-UHFFFAOYSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylsulfinylphenyl)urea
CID 111578684
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea
CID 96562726
1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 11736822
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
1-(4-butan-2-ylphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 11149383
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
1-(1-hydroxypropan-2-yl)-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 110929129
1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
1-(4-aminophenyl)-3-(1-methylsulfinylpropan-2-yl)urea
CID 113486517
1-(2-hydroxy-4-methylpentyl)-3-(4-methylsulfinylphenyl)urea
CID 111617527
1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 103910043
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea (CID 111617573) is 1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea is CC(CO)NC(=O)Nc1ccc(S(C)=O)cc1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea?
The InChIKey is MNRCTSVAUGXIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8(7-14)12-11(15)13-9-3-5-10(6-4-9)17(2)16/h3-6,8,14H,7H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea?
1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea has a molecular weight of 256.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea is sourced from PubChem (CID 111617573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).