[2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine

C13H19FN2O2S — CID 81435857

IUPAC[2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
SMILESCc1cc(S(=O)(=O)N2CCC(C)C2)cc(CN)c1F
InChIInChI=1S/C13H19FN2O2S/c1-9-3-4-16(8-9)19(17,18)12-5-10(2)13(14)11(6-12)7-15/h5-6,9H,3-4,7-8,15H2,1-2H3
InChIKeyFMRTZXLDGDXXKM-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.62
Rot. Bonds3

About [2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine

[2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine (PubChem CID 81435857) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is [2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
PubChem CID81435857
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name[2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
SMILESCc1cc(S(=O)(=O)N2CCC(C)C2)cc(CN)c1F
InChIInChI=1S/C13H19FN2O2S/c1-9-3-4-16(8-9)19(17,18)12-5-10(2)13(14)11(6-12)7-15/h5-6,9H,3-4,7-8,15H2,1-2H3
InChIKeyFMRTZXLDGDXXKM-UHFFFAOYSA-N
XLogP1.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-3-methyl-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
CID 81428280
[2-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 106919216
[5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine
CID 81428114
[2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 81457801
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine
CID 119959097
1-[2-fluoro-5-(3-methoxypyrrolidin-1-yl)sulfonyl-3-methylphenyl]-N-methylmethanamine
CID 103541437
1-[2-chloro-3-fluoro-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 81457130
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
CID 63623393
1-[3-(chloromethyl)-4-fluoro-5-methylphenyl]sulfonyl-4-methoxypiperidine
CID 81427396
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959600
3-(aminomethyl)-4-fluoro-5-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 106075398

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine (CID 81435857) is [2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine is Cc1cc(S(=O)(=O)N2CCC(C)C2)cc(CN)c1F.
What is the InChIKey of [2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is FMRTZXLDGDXXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-9-3-4-16(8-9)19(17,18)12-5-10(2)13(14)11(6-12)7-15/h5-6,9H,3-4,7-8,15H2,1-2H3.
What are the key properties of [2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine?
[2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 286.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 81435857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).