2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide

C11H20N4O2S — CID 62641127

IUPAC2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide
SMILESCC(C)N(C)CCNS(=O)(=O)c1cccnc1N
InChIInChI=1S/C11H20N4O2S/c1-9(2)15(3)8-7-14-18(16,17)10-5-4-6-13-11(10)12/h4-6,9,14H,7-8H2,1-3H3,(H2,12,13)
InChIKeyHOCCXWYDGXJQOD-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.28
Rot. Bonds6

About 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide

2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide (PubChem CID 62641127) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide
PubChem CID62641127
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide
SMILESCC(C)N(C)CCNS(=O)(=O)c1cccnc1N
InChIInChI=1S/C11H20N4O2S/c1-9(2)15(3)8-7-14-18(16,17)10-5-4-6-13-11(10)12/h4-6,9,14H,7-8H2,1-3H3,(H2,12,13)
InChIKeyHOCCXWYDGXJQOD-UHFFFAOYSA-N
XLogP0.28
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 62156997
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63316665
2-amino-N-(3-ethoxypropyl)pyridine-3-sulfonamide
CID 62144389
2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 63962498
N-[2-[(2-amino-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 62146437
2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640214
2-[(2-amino-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 62146480
2-amino-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 62144955
2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide
CID 65427987
2-amino-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-sulfonamide
CID 107212659
2-amino-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 62163350
2-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62149159

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide (CID 62641127) is 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide is CC(C)N(C)CCNS(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide?
The InChIKey is HOCCXWYDGXJQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9(2)15(3)8-7-14-18(16,17)10-5-4-6-13-11(10)12/h4-6,9,14H,7-8H2,1-3H3,(H2,12,13).
What are the key properties of 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide?
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62641127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).