N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide

C10H17N3O2S — CID 80709456

IUPACN-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide
SMILESCc1ccc(CNCCNS(C)(=O)=O)nc1
InChIInChI=1S/C10H17N3O2S/c1-9-3-4-10(12-7-9)8-11-5-6-13-16(2,14)15/h3-4,7,11,13H,5-6,8H2,1-2H3
InChIKeyJRPJJXYEGPBVSH-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.03
Rot. Bonds6

About N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide

N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide (PubChem CID 80709456) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide
PubChem CID80709456
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide
SMILESCc1ccc(CNCCNS(C)(=O)=O)nc1
InChIInChI=1S/C10H17N3O2S/c1-9-3-4-10(12-7-9)8-11-5-6-13-16(2,14)15/h3-4,7,11,13H,5-6,8H2,1-2H3
InChIKeyJRPJJXYEGPBVSH-UHFFFAOYSA-N
XLogP0.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.03
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-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide
CID 62760578
N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 80708848
3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile
CID 81311804
N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 81313009
N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 80708681
4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 115698997
N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide
CID 62748511
N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide
CID 106862330
N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide
CID 112581880
2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708858
N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 80708453
N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 80707733

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide (CID 80709456) is N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide is Cc1ccc(CNCCNS(C)(=O)=O)nc1.
What is the InChIKey of N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide?
The InChIKey is JRPJJXYEGPBVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-9-3-4-10(12-7-9)8-11-5-6-13-16(2,14)15/h3-4,7,11,13H,5-6,8H2,1-2H3.
What are the key properties of N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide?
N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 80709456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).