6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide

C11H18N4O2S — CID 63267802

IUPAC6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide
SMILESCNCC1CCN(c2ccc(S(N)(=O)=O)cn2)C1
InChIInChI=1S/C11H18N4O2S/c1-13-6-9-4-5-15(8-9)11-3-2-10(7-14-11)18(12,16)17/h2-3,7,9,13H,4-6,8H2,1H3,(H2,12,16,17)
InChIKeyYZCYXCRDZLKKPH-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.23
Rot. Bonds4

About 6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide

6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide (PubChem CID 63267802) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide
PubChem CID63267802
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide
SMILESCNCC1CCN(c2ccc(S(N)(=O)=O)cn2)C1
InChIInChI=1S/C11H18N4O2S/c1-13-6-9-4-5-15(8-9)11-3-2-10(7-14-11)18(12,16)17/h2-3,7,9,13H,4-6,8H2,1H3,(H2,12,16,17)
InChIKeyYZCYXCRDZLKKPH-UHFFFAOYSA-N
XLogP-0.23
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide
CID 115314754
N-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 61204820
1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine
CID 61313343
6-pyrrolidin-1-ylpyridine-3-sulfonamide
CID 9115059
4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 63264028
N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanamine
CID 120709622
1-[1-[4-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267403
N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133317803
N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
CID 120998995
6-[4-(2-aminoethyl)piperidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341143
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63873022
1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116648585

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide (CID 63267802) is 6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide is CNCC1CCN(c2ccc(S(N)(=O)=O)cn2)C1.
What is the InChIKey of 6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
The InChIKey is YZCYXCRDZLKKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-13-6-9-4-5-15(8-9)11-3-2-10(7-14-11)18(12,16)17/h2-3,7,9,13H,4-6,8H2,1H3,(H2,12,16,17).
What are the key properties of 6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide has a molecular weight of 270.36 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 63267802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).