1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine

C14H21FN2O2S — CID 136574383

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine
SMILESCc1cc(S(=O)(=O)N2CCC(C)(N(C)C)C2)ccc1F
InChIInChI=1S/C14H21FN2O2S/c1-11-9-12(5-6-13(11)15)20(18,19)17-8-7-14(2,10-17)16(3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyJAMQPYCMCLMQEV-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.85
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine

1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine (PubChem CID 136574383) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine
PubChem CID136574383
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine
SMILESCc1cc(S(=O)(=O)N2CCC(C)(N(C)C)C2)ccc1F
InChIInChI=1S/C14H21FN2O2S/c1-11-9-12(5-6-13(11)15)20(18,19)17-8-7-14(2,10-17)16(3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyJAMQPYCMCLMQEV-UHFFFAOYSA-N
XLogP1.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 129467066
1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol
CID 167803282
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 113073853
1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871361
methyl 4-(4-fluoro-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818499
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103770
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
[1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777526
1-(3,4-difluorophenyl)sulfonyl-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 118741464

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine (CID 136574383) is 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine is Cc1cc(S(=O)(=O)N2CCC(C)(N(C)C)C2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine?
The InChIKey is JAMQPYCMCLMQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-11-9-12(5-6-13(11)15)20(18,19)17-8-7-14(2,10-17)16(3)4/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine?
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine has a molecular weight of 300.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 136574383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).