1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine

C12H16F2N2O2S — CID 103577764

IUPAC1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(c2ccccc2S(=O)(=O)C(F)F)CC1N
InChIInChI=1S/C12H16F2N2O2S/c1-8-6-16(7-9(8)15)10-4-2-3-5-11(10)19(17,18)12(13)14/h2-5,8-9,12H,6-7,15H2,1H3
InChIKeyINGMBAYJZQCPFY-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.47
Rot. Bonds3

About 1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine

1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine (PubChem CID 103577764) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine
PubChem CID103577764
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(c2ccccc2S(=O)(=O)C(F)F)CC1N
InChIInChI=1S/C12H16F2N2O2S/c1-8-6-16(7-9(8)15)10-4-2-3-5-11(10)19(17,18)12(13)14/h2-5,8-9,12H,6-7,15H2,1H3
InChIKeyINGMBAYJZQCPFY-UHFFFAOYSA-N
XLogP1.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine (CID 103577764) is 1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine is CC1CN(c2ccccc2S(=O)(=O)C(F)F)CC1N.
What is the InChIKey of 1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine?
The InChIKey is INGMBAYJZQCPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-8-6-16(7-9(8)15)10-4-2-3-5-11(10)19(17,18)12(13)14/h2-5,8-9,12H,6-7,15H2,1H3.
What are the key properties of 1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine?
1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine has a molecular weight of 290.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103577764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).