N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide

C14H26N4O2S — CID 106017285

IUPACN-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NCC(C)N(C)C)nc1
InChIInChI=1S/C14H26N4O2S/c1-5-8-15-10-13-6-7-14(16-11-13)21(19,20)17-9-12(2)18(3)4/h6-7,11-12,15,17H,5,8-10H2,1-4H3
InChIKeySYNTUOCXUMKYPK-UHFFFAOYSA-N
MW314.46 g/mol
LogP0.81
Rot. Bonds9

About N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide

N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide (PubChem CID 106017285) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide
PubChem CID106017285
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NCC(C)N(C)C)nc1
InChIInChI=1S/C14H26N4O2S/c1-5-8-15-10-13-6-7-14(16-11-13)21(19,20)17-9-12(2)18(3)4/h6-7,11-12,15,17H,5,8-10H2,1-4H3
InChIKeySYNTUOCXUMKYPK-UHFFFAOYSA-N
XLogP0.81
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylsulfanylbutyl)-5-(propylaminomethyl)pyridine-2-sulfonamide
CID 106082285
5-(propylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
CID 106013375
5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide
CID 106084462
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017196
N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106017177
N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
CID 106017521
5-(ethylaminomethyl)-N-(3-propoxypropyl)pyridine-2-sulfonamide
CID 106074139
1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683
N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide
CID 82749058
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106050829
N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
CID 106064775
5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide
CID 106066192

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide (CID 106017285) is N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide is CCCNCc1ccc(S(=O)(=O)NCC(C)N(C)C)nc1.
What is the InChIKey of N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide?
The InChIKey is SYNTUOCXUMKYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-8-15-10-13-6-7-14(16-11-13)21(19,20)17-9-12(2)18(3)4/h6-7,11-12,15,17H,5,8-10H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide?
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 0.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106017285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).