N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide

C9H16N4O2S — CID 104532982

IUPACN-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide
SMILESCNc1cncc(NCCNS(C)(=O)=O)c1
InChIInChI=1S/C9H16N4O2S/c1-10-8-5-9(7-11-6-8)12-3-4-13-16(2,14)15/h5-7,10,12-13H,3-4H2,1-2H3
InChIKeyMTMBJETXJXCRDE-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.08
Rot. Bonds6

About N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide

N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide (PubChem CID 104532982) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide
PubChem CID104532982
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide
SMILESCNc1cncc(NCCNS(C)(=O)=O)c1
InChIInChI=1S/C9H16N4O2S/c1-10-8-5-9(7-11-6-8)12-3-4-13-16(2,14)15/h5-7,10,12-13H,3-4H2,1-2H3
InChIKeyMTMBJETXJXCRDE-UHFFFAOYSA-N
XLogP0.08
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
CID 104533155
3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
CID 104533920
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
N-[3-[(5-amino-3-pyridinyl)amino]propyl]methanesulfonamide
CID 106332321
4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
CID 106846876
5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
CID 106138149
5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine
CID 104767059
2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate
CID 104535709
N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 78988761
N-(2-anilinoethyl)methanesulfonamide;hydrate
CID 139980543
ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate
CID 104534061

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide (CID 104532982) is N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide is CNc1cncc(NCCNS(C)(=O)=O)c1.
What is the InChIKey of N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide?
The InChIKey is MTMBJETXJXCRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-10-8-5-9(7-11-6-8)12-3-4-13-16(2,14)15/h5-7,10,12-13H,3-4H2,1-2H3.
What are the key properties of N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide?
N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 104532982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).