1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide

C12H21N3O2S — CID 114141265

IUPAC1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCc1ccc(C)nc1
InChIInChI=1S/C12H21N3O2S/c1-4-13-7-11(3)18(16,17)15-9-12-6-5-10(2)14-8-12/h5-6,8,11,13,15H,4,7,9H2,1-3H3
InChIKeyLLBVGOKVXFUFNN-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.81
Rot. Bonds7

About 1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide

1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide (PubChem CID 114141265) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide
PubChem CID114141265
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCc1ccc(C)nc1
InChIInChI=1S/C12H21N3O2S/c1-4-13-7-11(3)18(16,17)15-9-12-6-5-10(2)14-8-12/h5-6,8,11,13,15H,4,7,9H2,1-3H3
InChIKeyLLBVGOKVXFUFNN-UHFFFAOYSA-N
XLogP0.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
CID 106023482
1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide
CID 106016143
1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide
CID 106072908
5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine
CID 47215825
(2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide
CID 95974510
4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 63008707
2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid
CID 64584052
1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086976
1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
CID 61067577
N-ethyl-2-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62997286
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
CID 106081845

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide?
The IUPAC name of 1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide (CID 114141265) is 1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for 1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide?
The canonical SMILES for 1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NCc1ccc(C)nc1.
What is the InChIKey of 1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide?
The InChIKey is LLBVGOKVXFUFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-13-7-11(3)18(16,17)15-9-12-6-5-10(2)14-8-12/h5-6,8,11,13,15H,4,7,9H2,1-3H3.
What are the key properties of 1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide?
1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 114141265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).