3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide

C12H16F3NO2S — CID 143904359

IUPAC3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide
SMILESCC(NS(=O)CCCO)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2S/c1-9(16-19(18)8-4-7-17)10-5-2-3-6-11(10)12(13,14)15/h2-3,5-6,9,16-17H,4,7-8H2,1H3
InChIKeyNLVYJMJOKLRMGP-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.40
Rot. Bonds6

About 3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide

3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide (PubChem CID 143904359) has the molecular formula C12H16F3NO2S and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide
PubChem CID143904359
Molecular FormulaC12H16F3NO2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC Name3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide
SMILESCC(NS(=O)CCCO)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2S/c1-9(16-19(18)8-4-7-17)10-5-2-3-6-11(10)12(13,14)15/h2-3,5-6,9,16-17H,4,7-8H2,1H3
InChIKeyNLVYJMJOKLRMGP-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
4-methylsulfinyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]butan-2-amine
CID 115893114
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420
1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 167747797
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine
CID 63452516
2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43111148
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 82706107
N',N'-diethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
CID 43106993
1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 71920819
(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761
N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide
CID 115672845
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CID 43111630

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide?
The IUPAC name of 3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide (CID 143904359) is 3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide.
What is the SMILES notation for 3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide?
The canonical SMILES for 3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide is CC(NS(=O)CCCO)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide?
The InChIKey is NLVYJMJOKLRMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2S/c1-9(16-19(18)8-4-7-17)10-5-2-3-6-11(10)12(13,14)15/h2-3,5-6,9,16-17H,4,7-8H2,1H3.
What are the key properties of 3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide?
3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide has a molecular weight of 295.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1-sulfinamide is sourced from PubChem (CID 143904359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).