N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide

C8H13N3O2S — CID 122468746

IUPACN-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide
SMILESCNCc1cccnc1NS(C)(=O)=O
InChIInChI=1S/C8H13N3O2S/c1-9-6-7-4-3-5-10-8(7)11-14(2,12)13/h3-5,9H,6H2,1-2H3,(H,10,11)
InChIKeyNHANNSPNVOGDGD-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.17
Rot. Bonds4

About N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide

N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide (PubChem CID 122468746) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide
PubChem CID122468746
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide
SMILESCNCc1cccnc1NS(C)(=O)=O
InChIInChI=1S/C8H13N3O2S/c1-9-6-7-4-3-5-10-8(7)11-14(2,12)13/h3-5,9H,6H2,1-2H3,(H,10,11)
InChIKeyNHANNSPNVOGDGD-UHFFFAOYSA-N
XLogP0.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106086657
[2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid
CID 66957874
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide
CID 66677968
2-chloropyridine-3-carbonitrile;N-(3-cyano-2-pyridinyl)methanesulfonamide
CID 158201741
N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106062209
N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide
CID 106062122
N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 106086586
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
N-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide
CID 110868117
ethane;N-methyl-1-quinolin-5-ylmethanamine
CID 163296401
ethene;3-ethyl-N-methylpyridin-2-amine
CID 143712916

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide (CID 122468746) is N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide is CNCc1cccnc1NS(C)(=O)=O.
What is the InChIKey of N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide?
The InChIKey is NHANNSPNVOGDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-9-6-7-4-3-5-10-8(7)11-14(2,12)13/h3-5,9H,6H2,1-2H3,(H,10,11).
What are the key properties of N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide?
N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122468746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).