2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol

C15H22FNO3S — CID 111122684

IUPAC2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol
SMILESCC(CS(C)(=O)=O)N(CC(O)c1ccccc1F)C1CC1
InChIInChI=1S/C15H22FNO3S/c1-11(10-21(2,19)20)17(12-7-8-12)9-15(18)13-5-3-4-6-14(13)16/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyJIHMTNFVCLOZNM-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.76
Rot. Bonds7

About 2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol

2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol (PubChem CID 111122684) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol
PubChem CID111122684
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol
SMILESCC(CS(C)(=O)=O)N(CC(O)c1ccccc1F)C1CC1
InChIInChI=1S/C15H22FNO3S/c1-11(10-21(2,19)20)17(12-7-8-12)9-15(18)13-5-3-4-6-14(13)16/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyJIHMTNFVCLOZNM-UHFFFAOYSA-N
XLogP1.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide
CID 96539492
3-[cyclopropyl(ethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679918
[4-[[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]methyl]phenyl]methanol
CID 110009027
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 55099405
2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol
CID 103670661
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
CID 115997188
3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997052
1-(2-fluorophenyl)-2-(1-phenylethylsulfonyl)ethanol
CID 110905401
1-[1-(2-fluorophenyl)ethylsulfonylmethyl]-4-methylcyclohexan-1-ol
CID 75497573
1-(2-fluorophenyl)-3-[2-hydroxypropyl(methyl)amino]propan-1-ol
CID 62630697
3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 62629969
[5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol
CID 99780599

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol (CID 111122684) is 2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol is CC(CS(C)(=O)=O)N(CC(O)c1ccccc1F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol?
The InChIKey is JIHMTNFVCLOZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-11(10-21(2,19)20)17(12-7-8-12)9-15(18)13-5-3-4-6-14(13)16/h3-6,11-12,15,18H,7-10H2,1-2H3.
What are the key properties of 2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol?
2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol has a molecular weight of 315.41 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1-methylsulfonylpropan-2-yl)amino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 111122684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).