2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide

C11H17N3O3S — CID 55043942

IUPAC2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NCC2CCCO2)ccn1
InChIInChI=1S/C11H17N3O3S/c1-12-11-7-10(4-5-13-11)18(15,16)14-8-9-3-2-6-17-9/h4-5,7,9,14H,2-3,6,8H2,1H3,(H,12,13)
InChIKeyNAFIZISSTAYRTQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.58
Rot. Bonds5

About 2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide

2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide (PubChem CID 55043942) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
PubChem CID55043942
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NCC2CCCO2)ccn1
InChIInChI=1S/C11H17N3O3S/c1-12-11-7-10(4-5-13-11)18(15,16)14-8-9-3-2-6-17-9/h4-5,7,9,14H,2-3,6,8H2,1H3,(H,12,13)
InChIKeyNAFIZISSTAYRTQ-UHFFFAOYSA-N
XLogP0.58
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 62157823
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
N,2-dimethyl-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 7477477
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 43081600
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 2987091
3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 31481223
6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 7124105
N-cyclobutyl-2-(methylamino)pyridine-4-sulfonamide
CID 62414070
6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide
CID 870159
N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide
CID 95864984
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide (CID 55043942) is 2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)NCC2CCCO2)ccn1.
What is the InChIKey of 2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide?
The InChIKey is NAFIZISSTAYRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-12-11-7-10(4-5-13-11)18(15,16)14-8-9-3-2-6-17-9/h4-5,7,9,14H,2-3,6,8H2,1H3,(H,12,13).
What are the key properties of 2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide?
2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 55043942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).