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

C9H17F3N2O2S — CID 83068247

IUPAC4,4,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-14(8-3-5-13-7-8)17(15,16)6-2-4-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyFQAUOUJPVNDKLZ-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.95
Rot. Bonds5

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

4,4,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbutane-1-sulfonamide (PubChem CID 83068247) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbutane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
PubChem CID83068247
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name4,4,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-14(8-3-5-13-7-8)17(15,16)6-2-4-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyFQAUOUJPVNDKLZ-UHFFFAOYSA-N
XLogP0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.95
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 4,4,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbutane-1-sulfonamide (CID 83068247) is 4,4,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbutane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbutane-1-sulfonamide is CN(C1CCNC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
The InChIKey is FQAUOUJPVNDKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-14(8-3-5-13-7-8)17(15,16)6-2-4-9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
4,4,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbutane-1-sulfonamide has a molecular weight of 274.31 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbutane-1-sulfonamide is sourced from PubChem (CID 83068247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).