N-methyl-3-(propylamino)pyridine-2-sulfonamide

C9H15N3O2S — CID 103303712

IUPACN-methyl-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NC
InChIInChI=1S/C9H15N3O2S/c1-3-6-11-8-5-4-7-12-9(8)15(13,14)10-2/h4-5,7,10-11H,3,6H2,1-2H3
InChIKeyFRRMOKSOBMCVDV-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.81
Rot. Bonds5

About N-methyl-3-(propylamino)pyridine-2-sulfonamide

N-methyl-3-(propylamino)pyridine-2-sulfonamide (PubChem CID 103303712) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is N-methyl-3-(propylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-(propylamino)pyridine-2-sulfonamide
PubChem CID103303712
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC NameN-methyl-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NC
InChIInChI=1S/C9H15N3O2S/c1-3-6-11-8-5-4-7-12-9(8)15(13,14)10-2/h4-5,7,10-11H,3,6H2,1-2H3
InChIKeyFRRMOKSOBMCVDV-UHFFFAOYSA-N
XLogP0.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306299
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
CID 103303743
N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534
N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306685
N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303638
N-(3-methylcyclobutyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307276
N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307489
N-(3-fluorophenyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103303892
N-(5-methyl-2-pyridinyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103303494
N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307693

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(propylamino)pyridine-2-sulfonamide?
The IUPAC name of N-methyl-3-(propylamino)pyridine-2-sulfonamide (CID 103303712) is N-methyl-3-(propylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-methyl-3-(propylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-methyl-3-(propylamino)pyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)NC.
What is the InChIKey of N-methyl-3-(propylamino)pyridine-2-sulfonamide?
The InChIKey is FRRMOKSOBMCVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-6-11-8-5-4-7-12-9(8)15(13,14)10-2/h4-5,7,10-11H,3,6H2,1-2H3.
What are the key properties of N-methyl-3-(propylamino)pyridine-2-sulfonamide?
N-methyl-3-(propylamino)pyridine-2-sulfonamide has a molecular weight of 229.31 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(propylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103303712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).