N-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide

C12H21N3O2S — CID 86797174

IUPACN-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)CCCNc1cccc(C)n1
InChIInChI=1S/C12H21N3O2S/c1-4-18(16,17)15(3)10-6-9-13-12-8-5-7-11(2)14-12/h5,7-8H,4,6,9-10H2,1-3H3,(H,13,14)
InChIKeyWQZBKWDHFPAGAN-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.47
Rot. Bonds7

About N-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide

N-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide (PubChem CID 86797174) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide
PubChem CID86797174
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)CCCNc1cccc(C)n1
InChIInChI=1S/C12H21N3O2S/c1-4-18(16,17)15(3)10-6-9-13-12-8-5-7-11(2)14-12/h5,7-8H,4,6,9-10H2,1-3H3,(H,13,14)
InChIKeyWQZBKWDHFPAGAN-UHFFFAOYSA-N
XLogP1.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
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-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide (CID 86797174) is N-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide is CCS(=O)(=O)N(C)CCCNc1cccc(C)n1.
What is the InChIKey of N-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide?
The InChIKey is WQZBKWDHFPAGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-18(16,17)15(3)10-6-9-13-12-8-5-7-11(2)14-12/h5,7-8H,4,6,9-10H2,1-3H3,(H,13,14).
What are the key properties of N-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide?
N-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide is sourced from PubChem (CID 86797174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).