N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C10H20F3N3O3S — CID 107480979

IUPACN-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESO=S(=O)(CCN1CCNCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H20F3N3O3S/c11-10(12,13)9-16(5-7-17)20(18,19)8-6-15-3-1-14-2-4-15/h14,17H,1-9H2
InChIKeyUHNJPEJHLDBZHV-UHFFFAOYSA-N
MW319.35 g/mol
LogP-0.92
Rot. Bonds7

About N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 107480979) has the molecular formula C10H20F3N3O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID107480979
Molecular FormulaC10H20F3N3O3S
Molecular Weight319.35 g/mol
Exact Mass319.12
IUPAC NameN-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESO=S(=O)(CCN1CCNCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H20F3N3O3S/c11-10(12,13)9-16(5-7-17)20(18,19)8-6-15-3-1-14-2-4-15/h14,17H,1-9H2
InChIKeyUHNJPEJHLDBZHV-UHFFFAOYSA-N
XLogP-0.92
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107480045
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 107483761
N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107480985
N-(2-methoxyethyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 54972243
2-(1,4-diazepan-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62837982
2-piperazin-1-ylethanesulfonamide
CID 54595802
N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 63009964
2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 86611202
2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738
2-piperazin-1-ylethanol;dihydrochloride
CID 21254470
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
azane;2-piperazin-1-ylethanol
CID 23318747

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 107480979) is N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is O=S(=O)(CCN1CCNCC1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is UHNJPEJHLDBZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O3S/c11-10(12,13)9-16(5-7-17)20(18,19)8-6-15-3-1-14-2-4-15/h14,17H,1-9H2.
What are the key properties of N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 319.35 g/mol, XLogP of -0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 107480979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).