1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide

C11H19N3O2S — CID 114142279

IUPAC1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NCc1ccncc1C
InChIInChI=1S/C11H19N3O2S/c1-9-6-13-5-4-11(9)8-14-17(15,16)10(2)7-12-3/h4-6,10,12,14H,7-8H2,1-3H3
InChIKeyLKFITVGEMOPLHE-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.42
Rot. Bonds6

About 1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide

1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide (PubChem CID 114142279) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide
PubChem CID114142279
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NCc1ccncc1C
InChIInChI=1S/C11H19N3O2S/c1-9-6-13-5-4-11(9)8-14-17(15,16)10(2)7-12-3/h4-6,10,12,14H,7-8H2,1-3H3
InChIKeyLKFITVGEMOPLHE-UHFFFAOYSA-N
XLogP0.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106083583
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 114701089
4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701636
3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106083517
4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698288
N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106065488
2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid
CID 114699734
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
CID 114701597
2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114699579
5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 114698510
4-(2-chloroethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701663

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide?
The IUPAC name of 1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide (CID 114142279) is 1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for 1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide?
The canonical SMILES for 1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide is CNCC(C)S(=O)(=O)NCc1ccncc1C.
What is the InChIKey of 1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide?
The InChIKey is LKFITVGEMOPLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9-6-13-5-4-11(9)8-14-17(15,16)10(2)7-12-3/h4-6,10,12,14H,7-8H2,1-3H3.
What are the key properties of 1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide?
1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 114142279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).