N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide

C9H14N2O4S — CID 86048885

IUPACN-(2,2-dimethoxyethyl)pyridine-2-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccccn1)OC
InChIInChI=1S/C9H14N2O4S/c1-14-9(15-2)7-11-16(12,13)8-5-3-4-6-10-8/h3-6,9,11H,7H2,1-2H3
InChIKeyKIACICDRSYVAMB-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.02
Rot. Bonds6

About N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide

N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide (PubChem CID 86048885) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)pyridine-2-sulfonamide
PubChem CID86048885
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC NameN-(2,2-dimethoxyethyl)pyridine-2-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccccn1)OC
InChIInChI=1S/C9H14N2O4S/c1-14-9(15-2)7-11-16(12,13)8-5-3-4-6-10-8/h3-6,9,11H,7H2,1-2H3
InChIKeyKIACICDRSYVAMB-UHFFFAOYSA-N
XLogP-0.02
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-diphenylethyl)pyridine-2-sulfonamide
CID 135085971
N-(3-amino-2-hydroxypropyl)pyridine-2-sulfonamide
CID 71422369
N-propylpyridine-2-sulfonamide
CID 91182516
tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate
CID 58981687
N-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide
CID 71442347
tert-butyl N-[(2S,3S)-3-hydroxy-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamate
CID 58981690
4-(pyridin-2-ylsulfonylamino)butanoic acid
CID 122067598
3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 3498417
N-[2-(pyridin-2-ylsulfonylamino)phenyl]pyridine-2-sulfonamide
CID 132544567
methyl 4-(pyridin-2-ylsulfonylmethyl)benzoate
CID 66877242
N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414719
2-(tribromomethylsulfonyl)pyridine
CID 159318212

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide (CID 86048885) is N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide is COC(CNS(=O)(=O)c1ccccn1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide?
The InChIKey is KIACICDRSYVAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-14-9(15-2)7-11-16(12,13)8-5-3-4-6-10-8/h3-6,9,11H,7H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide?
N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide has a molecular weight of 246.29 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 86048885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).