[4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol

C10H13F2NO2S — CID 122420475

IUPAC[4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol
SMILESCS(C)(=O)=NCc1cc(F)c(CO)c(F)c1
InChIInChI=1S/C10H13F2NO2S/c1-16(2,15)13-5-7-3-9(11)8(6-14)10(12)4-7/h3-4,14H,5-6H2,1-2H3
InChIKeyXZPUGDRPVWMHFZ-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.68
Rot. Bonds3

About [4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol

[4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol (PubChem CID 122420475) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is [4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol
PubChem CID122420475
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC Name[4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol
SMILESCS(C)(=O)=NCc1cc(F)c(CO)c(F)c1
InChIInChI=1S/C10H13F2NO2S/c1-16(2,15)13-5-7-3-9(11)8(6-14)10(12)4-7/h3-4,14H,5-6H2,1-2H3
InChIKeyXZPUGDRPVWMHFZ-UHFFFAOYSA-N
XLogP1.68
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43165042
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CID 68453663
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CID 71757349
[4-(Aminomethyl)-3-fluorophenyl]methanol hydrochloride
CID 165947644
(4-(Aminomethyl)-3,5-difluorophenyl)methanol
CID 178253258
N-[hydroxy-(2,4,5-trifluorophenyl)methyl]methanesulfonamide
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1-[Hydroxy-(sulfinatoamino)methyl]-4-(trifluoromethyl)benzene
CID 138628485
N-[(4-ethenylphenyl)-hydroxymethyl]-1,1,1-trifluoromethanesulfonamide
CID 155054543
(R)-N-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2-methylpropane-2-sulfinamide
CID 166098876
N-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide
CID 170619325
[4-[(Dimethylamino)methyl]-3-fluorophenyl]methanol
CID 84039159

Frequently Asked Questions

What is the IUPAC name of [4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol?
The IUPAC name of [4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol (CID 122420475) is [4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol.
What is the SMILES notation for [4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol?
The canonical SMILES for [4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol is CS(C)(=O)=NCc1cc(F)c(CO)c(F)c1.
What is the InChIKey of [4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol?
The InChIKey is XZPUGDRPVWMHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-16(2,15)13-5-7-3-9(11)8(6-14)10(12)4-7/h3-4,14H,5-6H2,1-2H3.
What are the key properties of [4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol?
[4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol has a molecular weight of 249.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]-2,6-difluorophenyl]methanol is sourced from PubChem (CID 122420475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).