N-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide

C10H18F3N3O2S — CID 82811267

IUPACN-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1CCC(C(F)(F)F)NC1)N1CCCC1
InChIInChI=1S/C10H18F3N3O2S/c11-10(12,13)9-4-3-8(7-14-9)15-19(17,18)16-5-1-2-6-16/h8-9,14-15H,1-7H2
InChIKeyOTBUOYQKXXZTJI-UHFFFAOYSA-N
MW301.33 g/mol
LogP0.60
Rot. Bonds3

About N-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide

N-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide (PubChem CID 82811267) has the molecular formula C10H18F3N3O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide
PubChem CID82811267
Molecular FormulaC10H18F3N3O2S
Molecular Weight301.33 g/mol
Exact Mass301.11
IUPAC NameN-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1CCC(C(F)(F)F)NC1)N1CCCC1
InChIInChI=1S/C10H18F3N3O2S/c11-10(12,13)9-4-3-8(7-14-9)15-19(17,18)16-5-1-2-6-16/h8-9,14-15H,1-7H2
InChIKeyOTBUOYQKXXZTJI-UHFFFAOYSA-N
XLogP0.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 164642520
3,3-difluoro-N-[2-(propylamino)ethyl]piperidine-1-sulfonamide
CID 117855268
8-(Trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane
CID 139490345
(2S)-4,4-difluoro-2-(pyrrolidin-1-ylmethyl)piperidine
CID 155100896
cyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide
CID 158178974
4-[Sulfamoyl(3,3,3-trifluoropropyl)amino]piperidine
CID 167049379
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 43602825
N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 55257246
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61253719
1-[1-(difluoromethylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 63249961
2-Pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 63256684
1-(Difluoromethylsulfonyl)-2-pyrrolidin-2-ylpiperidine
CID 63256770

Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide (CID 82811267) is N-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide is O=S(=O)(NC1CCC(C(F)(F)F)NC1)N1CCCC1.
What is the InChIKey of N-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide?
The InChIKey is OTBUOYQKXXZTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2S/c11-10(12,13)9-4-3-8(7-14-9)15-19(17,18)16-5-1-2-6-16/h8-9,14-15H,1-7H2.
What are the key properties of N-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide?
N-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide has a molecular weight of 301.33 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 82811267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).