1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea

C12H15FN2O2S — CID 95353858

IUPAC1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NCC[S@@](=O)c1ccccc1F
InChIInChI=1S/C12H15FN2O2S/c1-2-7-14-12(16)15-8-9-18(17)11-6-4-3-5-10(11)13/h2-6H,1,7-9H2,(H2,14,15,16)/t18-/m1/s1
InChIKeyQLJRSPYOKOLMND-GOSISDBHSA-N
MW270.33 g/mol
LogP1.42
Rot. Bonds6

About 1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea

1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea (PubChem CID 95353858) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea
PubChem CID95353858
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NCC[S@@](=O)c1ccccc1F
InChIInChI=1S/C12H15FN2O2S/c1-2-7-14-12(16)15-8-9-18(17)11-6-4-3-5-10(11)13/h2-6H,1,7-9H2,(H2,14,15,16)/t18-/m1/s1
InChIKeyQLJRSPYOKOLMND-GOSISDBHSA-N
XLogP1.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
CID 47176500
2-fluoro-N-prop-2-enylbenzamide
CID 4125319
1-fluoro-2-propylsulfinylbenzene
CID 64717305
N-[2-(2-fluorophenyl)sulfinylethyl]-8-methyl-2-azaspiro[4.5]decane-2-carboxamide
CID 102554688
1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901
1-(2-hydroxyethyl)-3-prop-2-enylurea
CID 87694211
3-(2-fluorophenyl)-4-oxo-4-(prop-2-enylamino)butanoic acid
CID 112516249
1-(phenoxymethyl)-3-prop-2-enylurea
CID 108888930
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
2-(2-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64637840
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377
1-(3-azidopropylsulfinyl)-2-fluorobenzene
CID 61396870

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea?
The IUPAC name of 1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea (CID 95353858) is 1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea is C=CCNC(=O)NCC[S@@](=O)c1ccccc1F.
What is the InChIKey of 1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea?
The InChIKey is QLJRSPYOKOLMND-GOSISDBHSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-2-7-14-12(16)15-8-9-18(17)11-6-4-3-5-10(11)13/h2-6H,1,7-9H2,(H2,14,15,16)/t18-/m1/s1.
What are the key properties of 1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea?
1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea has a molecular weight of 270.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(R)-(2-fluorophenyl)sulfinyl]ethyl]-3-prop-2-enylurea is sourced from PubChem (CID 95353858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).