N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide

C11H19N3O2S — CID 106336628

IUPACN-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
SMILESCc1cccnc1CNCCCNS(C)(=O)=O
InChIInChI=1S/C11H19N3O2S/c1-10-5-3-7-13-11(10)9-12-6-4-8-14-17(2,15)16/h3,5,7,12,14H,4,6,8-9H2,1-2H3
InChIKeyHZLQBCYYHQNNDK-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.42
Rot. Bonds7

About N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide

N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide (PubChem CID 106336628) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
PubChem CID106336628
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
SMILESCc1cccnc1CNCCCNS(C)(=O)=O
InChIInChI=1S/C11H19N3O2S/c1-10-5-3-7-13-11(10)9-12-6-4-8-14-17(2,15)16/h3,5,7,12,14H,4,6,8-9H2,1-2H3
InChIKeyHZLQBCYYHQNNDK-UHFFFAOYSA-N
XLogP0.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63305984
2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide
CID 114385023
5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 107320423
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine
CID 112650180
N-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
CID 113231668
N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide
CID 106336342
4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide
CID 116816179
1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 83167952
2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
CID 104644480
2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 112640127
N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 63309364
N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide
CID 104878529

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide (CID 106336628) is N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide is Cc1cccnc1CNCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide?
The InChIKey is HZLQBCYYHQNNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-10-5-3-7-13-11(10)9-12-6-4-8-14-17(2,15)16/h3,5,7,12,14H,4,6,8-9H2,1-2H3.
What are the key properties of N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide?
N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 106336628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).