N-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide

C8H13N3O2S — CID 122468711

IUPACN-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide
SMILESCN(c1ccnc(CN)c1)S(C)(=O)=O
InChIInChI=1S/C8H13N3O2S/c1-11(14(2,12)13)8-3-4-10-7(5-8)6-9/h3-5H,6,9H2,1-2H3
InChIKeyJGTJFZDEAKJXBM-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.06
Rot. Bonds3

About N-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide

N-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide (PubChem CID 122468711) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide
PubChem CID122468711
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide
SMILESCN(c1ccnc(CN)c1)S(C)(=O)=O
InChIInChI=1S/C8H13N3O2S/c1-11(14(2,12)13)8-3-4-10-7(5-8)6-9/h3-5H,6,9H2,1-2H3
InChIKeyJGTJFZDEAKJXBM-UHFFFAOYSA-N
XLogP-0.06
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide (CID 122468711) is N-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide is CN(c1ccnc(CN)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide?
The InChIKey is JGTJFZDEAKJXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-11(14(2,12)13)8-3-4-10-7(5-8)6-9/h3-5H,6,9H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide?
N-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide has a molecular weight of 215.28 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-4-pyridinyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 122468711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).