N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C11H21F3N2O3S — CID 107480045

IUPACN-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O3S/c12-11(13,14)9-16(6-7-17)20(18,19)8-3-10-1-4-15-5-2-10/h10,15,17H,1-9H2
InChIKeyOAFDNERMDIDZMZ-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.56
Rot. Bonds7

About N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 107480045) has the molecular formula C11H21F3N2O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID107480045
Molecular FormulaC11H21F3N2O3S
Molecular Weight318.36 g/mol
Exact Mass318.12
IUPAC NameN-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O3S/c12-11(13,14)9-16(6-7-17)20(18,19)8-3-10-1-4-15-5-2-10/h10,15,17H,1-9H2
InChIKeyOAFDNERMDIDZMZ-UHFFFAOYSA-N
XLogP0.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide
CID 61426140
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107480979
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 107483761
N-(2-hydroxypropyl)-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 55061183
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 63701090
[[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]cyclopropane
CID 107483795
N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107480985
N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 61413367
N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide
CID 60890770
4-(2-cyclopropylsulfonylethyl)piperidine
CID 84683146
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide
CID 107480952
N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide
CID 54999169

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 107480045) is N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is O=S(=O)(CCC1CCNCC1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is OAFDNERMDIDZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O3S/c12-11(13,14)9-16(6-7-17)20(18,19)8-3-10-1-4-15-5-2-10/h10,15,17H,1-9H2.
What are the key properties of N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 318.36 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 107480045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).