N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C9H19F3N2O3S — CID 107480985

IUPACN-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O3S/c1-8(2)13-3-6-18(16,17)14(4-5-15)7-9(10,11)12/h8,13,15H,3-7H2,1-2H3
InChIKeyYVLDQLPRYQAYQK-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.17
Rot. Bonds8

About N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 107480985) has the molecular formula C9H19F3N2O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID107480985
Molecular FormulaC9H19F3N2O3S
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC NameN-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O3S/c1-8(2)13-3-6-18(16,17)14(4-5-15)7-9(10,11)12/h8,13,15H,3-7H2,1-2H3
InChIKeyYVLDQLPRYQAYQK-UHFFFAOYSA-N
XLogP0.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 107483761
N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972654
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107480963
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107480045
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107480979
N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 82951040
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493058
3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
CID 83058644
[[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]cyclopropane
CID 107483795
N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide
CID 165444690
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102994809

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 107480985) is N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CC(C)NCCS(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is YVLDQLPRYQAYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O3S/c1-8(2)13-3-6-18(16,17)14(4-5-15)7-9(10,11)12/h8,13,15H,3-7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 292.32 g/mol, XLogP of 0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 107480985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).