[5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine

C15H23FN2O2S — CID 81428114

IUPAC[5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine
SMILESCc1cc(S(=O)(=O)N2CCCC(C)C2C)cc(CN)c1F
InChIInChI=1S/C15H23FN2O2S/c1-10-5-4-6-18(12(10)3)21(19,20)14-7-11(2)15(16)13(8-14)9-17/h7-8,10,12H,4-6,9,17H2,1-3H3
InChIKeyKYCBQTNBQYECIF-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.40
Rot. Bonds3

About [5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine

[5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine (PubChem CID 81428114) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is [5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine
PubChem CID81428114
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name[5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine
SMILESCc1cc(S(=O)(=O)N2CCCC(C)C2C)cc(CN)c1F
InChIInChI=1S/C15H23FN2O2S/c1-10-5-4-6-18(12(10)3)21(19,20)14-7-11(2)15(16)13(8-14)9-17/h7-8,10,12H,4-6,9,17H2,1-3H3
InChIKeyKYCBQTNBQYECIF-UHFFFAOYSA-N
XLogP2.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919345
[2-fluoro-3-methyl-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
CID 81428280
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988722
1-[3-(chloromethyl)-4-fluoro-5-methylphenyl]sulfonyl-2-methylpyrrolidine
CID 81435413
[2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 81435857
[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 55040179
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969291
[3-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984944
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline
CID 114625577
3-(aminomethyl)-4-fluoro-5-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 106075398
[2-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
CID 81458233
[2-chloro-3-fluoro-5-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 81452524

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine?
The IUPAC name of [5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine (CID 81428114) is [5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine.
What is the SMILES notation for [5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine?
The canonical SMILES for [5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine is Cc1cc(S(=O)(=O)N2CCCC(C)C2C)cc(CN)c1F.
What is the InChIKey of [5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine?
The InChIKey is KYCBQTNBQYECIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-10-5-4-6-18(12(10)3)21(19,20)14-7-11(2)15(16)13(8-14)9-17/h7-8,10,12H,4-6,9,17H2,1-3H3.
What are the key properties of [5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine?
[5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine has a molecular weight of 314.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine is sourced from PubChem (CID 81428114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).