1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine

C14H20F2N2O2S — CID 106321956

IUPAC1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(c2ccccc2S(=O)(=O)C(F)F)C1
InChIInChI=1S/C14H20F2N2O2S/c1-14(9-17-2)7-8-18(10-14)11-5-3-4-6-12(11)21(19,20)13(15)16/h3-6,13,17H,7-10H2,1-2H3
InChIKeyNIVRNZYOKVDXIL-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.12
Rot. Bonds5

About 1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine

1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 106321956) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID106321956
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(c2ccccc2S(=O)(=O)C(F)F)C1
InChIInChI=1S/C14H20F2N2O2S/c1-14(9-17-2)7-8-18(10-14)11-5-3-4-6-12(11)21(19,20)13(15)16/h3-6,13,17H,7-10H2,1-2H3
InChIKeyNIVRNZYOKVDXIL-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321793
9-[2-(difluoromethylsulfonyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479252
4-[2-(difluoromethylsulfonyl)phenyl]morpholine
CID 133282213
(3R)-1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 113238022
(3S)-1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 113239909
1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol
CID 114680750
1-(2-bromoethyl)-4-[2-(difluoromethylsulfonyl)phenyl]piperazine
CID 80676654
2-[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]ethanol
CID 61150558
N-methyl-1-(3-methyl-1-pyridin-4-ylpyrrolidin-3-yl)methanamine
CID 106321908
methyl (3S)-1-[2-(difluoromethylsulfonyl)phenyl]piperidine-3-carboxylate
CID 133326717
methyl 1-[2-(difluoromethylsulfonyl)phenyl]piperidine-4-carboxylate
CID 133275055
1-[2-(difluoromethylsulfonyl)phenyl]-1,4-diazepane
CID 43455340

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine (CID 106321956) is 1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1(C)CCN(c2ccccc2S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is NIVRNZYOKVDXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-14(9-17-2)7-8-18(10-14)11-5-3-4-6-12(11)21(19,20)13(15)16/h3-6,13,17H,7-10H2,1-2H3.
What are the key properties of 1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 318.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 106321956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).