5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide

C12H18BrN3O2S — CID 97217875

IUPAC5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide
SMILESCN1CCC[C@H](CNS(=O)(=O)c2ccc(Br)cn2)C1
InChIInChI=1S/C12H18BrN3O2S/c1-16-6-2-3-10(9-16)7-15-19(17,18)12-5-4-11(13)8-14-12/h4-5,8,10,15H,2-3,6-7,9H2,1H3/t10-/m1/s1
InChIKeyMIXVBNMOQBXLSD-SNVBAGLBSA-N
MW348.27 g/mol
LogP1.46
Rot. Bonds4

About 5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide

5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide (PubChem CID 97217875) has the molecular formula C12H18BrN3O2S and a molecular weight of 348.27 g/mol. Its IUPAC name is 5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide
PubChem CID97217875
Molecular FormulaC12H18BrN3O2S
Molecular Weight348.27 g/mol
Exact Mass347.03
IUPAC Name5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide
SMILESCN1CCC[C@H](CNS(=O)(=O)c2ccc(Br)cn2)C1
InChIInChI=1S/C12H18BrN3O2S/c1-16-6-2-3-10(9-16)7-15-19(17,18)12-5-4-11(13)8-14-12/h4-5,8,10,15H,2-3,6-7,9H2,1H3/t10-/m1/s1
InChIKeyMIXVBNMOQBXLSD-SNVBAGLBSA-N
XLogP1.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide 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

6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62156782
5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide
CID 97318384
6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62158948
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
6-amino-5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 64601870
2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 62159127
N-[2-(1-methylpiperidin-3-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
CID 126818620
3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103305202
N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106027073
5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 79718992
2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
CID 95187888
N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
CID 106026792

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide?
The IUPAC name of 5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide (CID 97217875) is 5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide is CN1CCC[C@H](CNS(=O)(=O)c2ccc(Br)cn2)C1.
What is the InChIKey of 5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide?
The InChIKey is MIXVBNMOQBXLSD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18BrN3O2S/c1-16-6-2-3-10(9-16)7-15-19(17,18)12-5-4-11(13)8-14-12/h4-5,8,10,15H,2-3,6-7,9H2,1H3/t10-/m1/s1.
What are the key properties of 5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide?
5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide has a molecular weight of 348.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 97217875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).