N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide

C13H19F3N4O2S — CID 133371456

IUPACN-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC2CCN(CC(F)(F)F)C2)nc1
InChIInChI=1S/C13H19F3N4O2S/c1-17-23(21,22)11-2-3-12(19-7-11)18-6-10-4-5-20(8-10)9-13(14,15)16/h2-3,7,10,17H,4-6,8-9H2,1H3,(H,18,19)
InChIKeyFQXYQHXCHHSOGK-UHFFFAOYSA-N
MW352.38 g/mol
LogP1.29
Rot. Bonds6

About N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide

N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide (PubChem CID 133371456) has the molecular formula C13H19F3N4O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
PubChem CID133371456
Molecular FormulaC13H19F3N4O2S
Molecular Weight352.38 g/mol
Exact Mass352.12
IUPAC NameN-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC2CCN(CC(F)(F)F)C2)nc1
InChIInChI=1S/C13H19F3N4O2S/c1-17-23(21,22)11-2-3-12(19-7-11)18-6-10-4-5-20(8-10)9-13(14,15)16/h2-3,7,10,17H,4-6,8-9H2,1H3,(H,18,19)
InChIKeyFQXYQHXCHHSOGK-UHFFFAOYSA-N
XLogP1.29
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
CID 97119107
6-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methylamino]-N-methylpyridine-3-sulfonamide
CID 133299090
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 61253564
4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide
CID 60856715
N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide
CID 133359510
N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide
CID 133486904
6-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-2,6-diamine
CID 80647041
2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 133318458
N-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide
CID 95158154
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide
CID 133351391
N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 133431532

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide (CID 133371456) is N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(NCC2CCN(CC(F)(F)F)C2)nc1.
What is the InChIKey of N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide?
The InChIKey is FQXYQHXCHHSOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2S/c1-17-23(21,22)11-2-3-12(19-7-11)18-6-10-4-5-20(8-10)9-13(14,15)16/h2-3,7,10,17H,4-6,8-9H2,1H3,(H,18,19).
What are the key properties of N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide?
N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide has a molecular weight of 352.38 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133371456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).