N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide

C12H21N3O3S — CID 106050829

IUPACN-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCC(C)COC)nc1
InChIInChI=1S/C12H21N3O3S/c1-10(9-18-3)6-15-19(16,17)12-5-4-11(7-13-2)8-14-12/h4-5,8,10,13,15H,6-7,9H2,1-3H3
InChIKeyUBVGFVIDWDPKDL-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.36
Rot. Bonds8

About N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide

N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide (PubChem CID 106050829) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
PubChem CID106050829
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCC(C)COC)nc1
InChIInChI=1S/C12H21N3O3S/c1-10(9-18-3)6-15-19(16,17)12-5-4-11(7-13-2)8-14-12/h4-5,8,10,13,15H,6-7,9H2,1-3H3
InChIKeyUBVGFVIDWDPKDL-UHFFFAOYSA-N
XLogP0.36
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591
5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
CID 106018652
N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
CID 106064775
N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106027073
N-(3,3-dimethylbutyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085622
N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106079204
N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106086804
N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106058846
5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide
CID 115522827
N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050753
N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106069732
5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide
CID 106050953

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide (CID 106050829) is N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCC(C)COC)nc1.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The InChIKey is UBVGFVIDWDPKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-10(9-18-3)6-15-19(16,17)12-5-4-11(7-13-2)8-14-12/h4-5,8,10,13,15H,6-7,9H2,1-3H3.
What are the key properties of N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106050829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).