[1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine

C12H16F2N2O2S — CID 102783740

IUPAC[1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2ccc(F)cc2F)C1CN
InChIInChI=1S/C12H16F2N2O2S/c1-8-4-5-16(11(8)7-15)19(17,18)12-3-2-9(13)6-10(12)14/h2-3,6,8,11H,4-5,7,15H2,1H3
InChIKeyRNNRAMUNMQBNQK-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.32
Rot. Bonds3

About [1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine

[1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine (PubChem CID 102783740) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
PubChem CID102783740
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name[1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2ccc(F)cc2F)C1CN
InChIInChI=1S/C12H16F2N2O2S/c1-8-4-5-16(11(8)7-15)19(17,18)12-3-2-9(13)6-10(12)14/h2-3,6,8,11H,4-5,7,15H2,1H3
InChIKeyRNNRAMUNMQBNQK-UHFFFAOYSA-N
XLogP1.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,4-difluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984795
[1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984882
[1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
CID 102783770
2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)sulfonyl-3-methylpyrrolidine
CID 102788483
2-(bromomethyl)-1-(4-fluoro-2-methylphenyl)sulfonyl-3-methylpyrrolidine
CID 102788650
[1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786226
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
1-(2-chloro-5-fluorophenyl)sulfonyl-2-(chloromethyl)-3-methylpyrrolidine
CID 102788517
[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine
CID 103308622
4-fluoro-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylbenzoic acid
CID 102919665
1-(2,4-difluorophenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742376
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,4-difluorophenyl)ethanone
CID 102783621

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine (CID 102783740) is [1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine is CC1CCN(S(=O)(=O)c2ccc(F)cc2F)C1CN.
What is the InChIKey of [1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine?
The InChIKey is RNNRAMUNMQBNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-8-4-5-16(11(8)7-15)19(17,18)12-3-2-9(13)6-10(12)14/h2-3,6,8,11H,4-5,7,15H2,1H3.
What are the key properties of [1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine?
[1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine has a molecular weight of 290.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 102783740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).