N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide

C11H19N3O2S — CID 62010247

IUPACN-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide
SMILESCCN(C(C)(C)CN)S(=O)(=O)c1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-4-14(11(2,3)9-12)17(15,16)10-6-5-7-13-8-10/h5-8H,4,9,12H2,1-3H3
InChIKeyIZBGODFMJIAZEH-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.83
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide

N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide (PubChem CID 62010247) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide
PubChem CID62010247
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide
SMILESCCN(C(C)(C)CN)S(=O)(=O)c1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-4-14(11(2,3)9-12)17(15,16)10-6-5-7-13-8-10/h5-8H,4,9,12H2,1-3H3
InChIKeyIZBGODFMJIAZEH-UHFFFAOYSA-N
XLogP0.83
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide (CID 62010247) is N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide is CCN(C(C)(C)CN)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide?
The InChIKey is IZBGODFMJIAZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-14(11(2,3)9-12)17(15,16)10-6-5-7-13-8-10/h5-8H,4,9,12H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 62010247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).