N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide

C10H17N3O2S — CID 75512698

IUPACN-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNc1cccc(C)n1
InChIInChI=1S/C10H17N3O2S/c1-3-16(14,15)12-8-7-11-10-6-4-5-9(2)13-10/h4-6,12H,3,7-8H2,1-2H3,(H,11,13)
InChIKeyBDLXRFZTFFWGPZ-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.74
Rot. Bonds6

About N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide

N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide (PubChem CID 75512698) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide
PubChem CID75512698
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNc1cccc(C)n1
InChIInChI=1S/C10H17N3O2S/c1-3-16(14,15)12-8-7-11-10-6-4-5-9(2)13-10/h4-6,12H,3,7-8H2,1-2H3,(H,11,13)
InChIKeyBDLXRFZTFFWGPZ-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide (CID 75512698) is N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCNc1cccc(C)n1.
What is the InChIKey of N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide?
The InChIKey is BDLXRFZTFFWGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-16(14,15)12-8-7-11-10-6-4-5-9(2)13-10/h4-6,12H,3,7-8H2,1-2H3,(H,11,13).
What are the key properties of N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide?
N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide is sourced from PubChem (CID 75512698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).