[1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

C12H18ClFN2O2S — CID 120708491

IUPAC[1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1cccc(F)c1S(=O)(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C12H17FN2O2S.ClH/c1-9-3-2-4-11(13)12(9)18(16,17)15-6-5-10(7-14)8-15;/h2-4,10H,5-8,14H2,1H3;1H
InChIKeySFUIVPVWGVOUSC-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.53
Rot. Bonds3

About [1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

[1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120708491) has the molecular formula C12H18ClFN2O2S and a molecular weight of 308.81 g/mol. Its IUPAC name is [1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120708491
Molecular FormulaC12H18ClFN2O2S
Molecular Weight308.81 g/mol
Exact Mass308.08
IUPAC Name[1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1cccc(F)c1S(=O)(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C12H17FN2O2S.ClH/c1-9-3-2-4-11(13)12(9)18(16,17)15-6-5-10(7-14)8-15;/h2-4,10H,5-8,14H2,1H3;1H
InChIKeySFUIVPVWGVOUSC-UHFFFAOYSA-N
XLogP1.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744958
[1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62061807
4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide
CID 106083694
methyl 2-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-6-fluorobenzoate
CID 119972305
(3aS,6aR)-5-(2-fluoro-6-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120714096
[1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972228
[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971913
[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62063051
[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971833
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656
1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 62917651

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120708491) is [1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is Cc1cccc(F)c1S(=O)(=O)N1CCC(CN)C1.Cl.
What is the InChIKey of [1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is SFUIVPVWGVOUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S.ClH/c1-9-3-2-4-11(13)12(9)18(16,17)15-6-5-10(7-14)8-15;/h2-4,10H,5-8,14H2,1H3;1H.
What are the key properties of [1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120708491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).