2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide

C10H17N3O4S — CID 114242959

IUPAC2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide
SMILESCN(CCOCCO)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C10H17N3O4S/c1-13(5-7-17-8-6-14)18(15,16)9-3-2-4-12-10(9)11/h2-4,14H,5-8H2,1H3,(H2,11,12)
InChIKeyRUEMEXOKBHGARG-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.71
Rot. Bonds7

About 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide

2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide (PubChem CID 114242959) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide
PubChem CID114242959
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide
SMILESCN(CCOCCO)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C10H17N3O4S/c1-13(5-7-17-8-6-14)18(15,16)9-3-2-4-12-10(9)11/h2-4,14H,5-8H2,1H3,(H2,11,12)
InChIKeyRUEMEXOKBHGARG-UHFFFAOYSA-N
XLogP-0.71
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Aminopyridine-3-sulfonamide
CID 459534
N-cyclohexyl-6-morpholino-3-pyridinesulfonamide
CID 2738739
6-amino-N,N-dimethylpyridine-3-sulfonamide
CID 5267643
N,N-diethyl-6-[4-(2-hydroxyethyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 901301
2,6-Dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
CID 4779888
N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 4884950
2,6-Dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine
CID 4882124
3-[(5-Morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 9280425
2-Aminopyridine-3-sulfonamide
CID 1713868
4-[(6-Pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine
CID 5268063
N,N-dimethyl-6-(4-morpholinyl)-3-pyridinesulfonamide
CID 829845
N,N-diethyl-6-(propylamino)-3-pyridinesulfonamide
CID 1741687

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide (CID 114242959) is 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide is CN(CCOCCO)S(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is RUEMEXOKBHGARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-13(5-7-17-8-6-14)18(15,16)9-3-2-4-12-10(9)11/h2-4,14H,5-8H2,1H3,(H2,11,12).
What are the key properties of 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide?
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 275.33 g/mol, XLogP of -0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 114242959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).