N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide

C14H26N4O2S — CID 63726875

IUPACN-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)CCCN(C)C)cn1
InChIInChI=1S/C14H26N4O2S/c1-5-9-15-14-8-7-13(12-16-14)21(19,20)18(4)11-6-10-17(2)3/h7-8,12H,5-6,9-11H2,1-4H3,(H,15,16)
InChIKeyXNAAUXZBCUWZHW-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.48
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide

N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 63726875) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide
PubChem CID63726875
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)CCCN(C)C)cn1
InChIInChI=1S/C14H26N4O2S/c1-5-9-15-14-8-7-13(12-16-14)21(19,20)18(4)11-6-10-17(2)3/h7-8,12H,5-6,9-11H2,1-4H3,(H,15,16)
InChIKeyXNAAUXZBCUWZHW-UHFFFAOYSA-N
XLogP1.48
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide
CID 79386348
N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-3-sulfonamide
CID 62147366
N-butyl-N-cyclopropyl-6-(propylamino)pyridine-3-sulfonamide
CID 62156743
N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide
CID 62147992
6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 103340951
6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 62151361
N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143975
N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 115987150
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
5-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-2-carbothioamide
CID 114614476
N-(cyclopropylmethyl)-N-ethyl-6-(propylamino)pyridine-3-sulfonamide
CID 63940107
N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
CID 63698946

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide (CID 63726875) is N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)N(C)CCCN(C)C)cn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is XNAAUXZBCUWZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-9-15-14-8-7-13(12-16-14)21(19,20)18(4)11-6-10-17(2)3/h7-8,12H,5-6,9-11H2,1-4H3,(H,15,16).
What are the key properties of N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide?
N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-methyl-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 63726875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).