1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C10H18F6N2O4S2 — CID 171929200

IUPAC1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCC1CCN(C)C1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H17N.C2HF6NO4S2/c1-3-4-8-5-6-9(2)7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8H,3-7H2,1-2H3;9H
InChIKeyQFXYRSNNOQMEOU-UHFFFAOYSA-N
MW408.39 g/mol
LogP2.01
Rot. Bonds4

About 1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 171929200) has the molecular formula C10H18F6N2O4S2 and a molecular weight of 408.39 g/mol. Its IUPAC name is 1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID171929200
Molecular FormulaC10H18F6N2O4S2
Molecular Weight408.39 g/mol
Exact Mass408.06
IUPAC Name1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCC1CCN(C)C1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H17N.C2HF6NO4S2/c1-3-4-8-5-6-9(2)7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8H,3-7H2,1-2H3;9H
InChIKeyQFXYRSNNOQMEOU-UHFFFAOYSA-N
XLogP2.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-propylpyrrolidine;nitric acid
CID 175244949
1-butyl-3-propylpyrrolidine;methanesulfonic acid
CID 175583831
3-(methoxymethyl)-1-methyl-6-propylazocane
CID 70899502
1-hexadecyl-3-methylpiperidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 172841939
3-ethyl-1-octylpyrrolidine;1-octyl-3-propylpyrrolidine;bis(trifluoromethanesulfonic acid)
CID 175583602
methanesulfonic acid;3-propyl-1-undecylpyrrolidine
CID 175583715
4-(1-methylpyrrolidin-3-yl)butane-1-sulfonic acid
CID 87059945
2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 114038248
methanesulfonic acid;4-propyl-1-undecylpiperidine
CID 175583605
N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
CID 115206064
N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine
CID 106723274
1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea
CID 134126316

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 171929200) is 1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCCC1CCN(C)C1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is QFXYRSNNOQMEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2HF6NO4S2/c1-3-4-8-5-6-9(2)7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8H,3-7H2,1-2H3;9H.
What are the key properties of 1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 408.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 171929200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).