1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine

C12H18FN3O2S — CID 103302482

IUPAC1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1S(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H18FN3O2S/c1-14-9-10-5-2-3-8-16(10)19(17,18)12-11(13)6-4-7-15-12/h4,6-7,10,14H,2-3,5,8-9H2,1H3
InChIKeyPMVFTRRUDMWQNA-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.98
Rot. Bonds4

About 1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine

1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine (PubChem CID 103302482) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine
PubChem CID103302482
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC Name1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1S(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H18FN3O2S/c1-14-9-10-5-2-3-8-16(10)19(17,18)12-11(13)6-4-7-15-12/h4,6-7,10,14H,2-3,5,8-9H2,1H3
InChIKeyPMVFTRRUDMWQNA-UHFFFAOYSA-N
XLogP0.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine
CID 103302532
1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide
CID 103300677
[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-2-yl]methanol
CID 103305482
N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 63249919
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63249776
N-methyl-1-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanamine
CID 63250411
1-[(2S)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574941
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
[(2R)-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-2-yl]methanamine
CID 97162685
1-[1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316506
[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine
CID 103308622

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine (CID 103302482) is 1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1S(=O)(=O)c1ncccc1F.
What is the InChIKey of 1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine?
The InChIKey is PMVFTRRUDMWQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-14-9-10-5-2-3-8-16(10)19(17,18)12-11(13)6-4-7-15-12/h4,6-7,10,14H,2-3,5,8-9H2,1H3.
What are the key properties of 1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine?
1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine has a molecular weight of 287.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 103302482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).