2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol

C13H19F3N4O3S — CID 167970023

IUPAC2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol
SMILESCS(=O)(=O)N1CCCCC1CNc1cnc(C(O)C(F)(F)F)cn1
InChIInChI=1S/C13H19F3N4O3S/c1-24(22,23)20-5-3-2-4-9(20)6-18-11-8-17-10(7-19-11)12(21)13(14,15)16/h7-9,12,21H,2-6H2,1H3,(H,18,19)
InChIKeyWCLVRBPZIFASDO-UHFFFAOYSA-N
MW368.38 g/mol
LogP1.30
Rot. Bonds5

About 2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol

2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol (PubChem CID 167970023) has the molecular formula C13H19F3N4O3S and a molecular weight of 368.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol
PubChem CID167970023
Molecular FormulaC13H19F3N4O3S
Molecular Weight368.38 g/mol
Exact Mass368.11
IUPAC Name2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol
SMILESCS(=O)(=O)N1CCCCC1CNc1cnc(C(O)C(F)(F)F)cn1
InChIInChI=1S/C13H19F3N4O3S/c1-24(22,23)20-5-3-2-4-9(20)6-18-11-8-17-10(7-19-11)12(21)13(14,15)16/h7-9,12,21H,2-6H2,1H3,(H,18,19)
InChIKeyWCLVRBPZIFASDO-UHFFFAOYSA-N
XLogP1.30
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine
CID 97137441
tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate
CID 59478990
[6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 135111126
1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 138017490
1-(1-methylsulfonylazepan-2-yl)propan-2-ol
CID 79559855
tert-butyl (2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 170977694
5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
CID 97200324
2-(1-methylsulfonylpiperidin-2-yl)ethanol
CID 60956631
1-tert-butyl-3-[(1-methylsulfonylpyrrolidin-2-yl)methyl]urea
CID 110749992
methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 126806914
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,5-diamine
CID 106028605
2-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-ethyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]guanidine
CID 109492932

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol (CID 167970023) is 2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol is CS(=O)(=O)N1CCCCC1CNc1cnc(C(O)C(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol?
The InChIKey is WCLVRBPZIFASDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O3S/c1-24(22,23)20-5-3-2-4-9(20)6-18-11-8-17-10(7-19-11)12(21)13(14,15)16/h7-9,12,21H,2-6H2,1H3,(H,18,19).
What are the key properties of 2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol?
2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol has a molecular weight of 368.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrazin-2-yl]ethanol is sourced from PubChem (CID 167970023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).