N-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide

C10H19F3N2O2S — CID 83068323

IUPACN-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-2-15(9-4-6-14-8-9)18(16,17)7-3-5-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyWJALMBVCNDEFKU-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.34
Rot. Bonds6

About N-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide

N-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide (PubChem CID 83068323) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide
PubChem CID83068323
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-2-15(9-4-6-14-8-9)18(16,17)7-3-5-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyWJALMBVCNDEFKU-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide
CID 59298226
N-(Pyrrolidine-3alpha-yl)trifluoromethanesulfonamide
CID 71194434
N-(Pyrrolidin-3-yl)propane-1-sulfonamide
CID 43602878
1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide
CID 24796609
4-(Trifluoromethyl)pyrrolidine-3-sulfonic acid diethylamide
CID 129876827
N-methyl-1-[(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanamine
CID 99922163
1,1,1-trifluoro-N-[(5R)-5-methylpyrrolidin-3-yl]methanesulfonamide
CID 58880493
2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide
CID 59651766
1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide
CID 71194432
3-(1,1-Difluoroethyl)-1-ethylsulfonylpiperazine
CID 137536927
N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 169240282
N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide
CID 169240283

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide?
The IUPAC name of N-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide (CID 83068323) is N-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide is CCN(C1CCNC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide?
The InChIKey is WJALMBVCNDEFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-2-15(9-4-6-14-8-9)18(16,17)7-3-5-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide?
N-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-N-pyrrolidin-3-ylbutane-1-sulfonamide is sourced from PubChem (CID 83068323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).