N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide

C15H19N3O2S — CID 43275778

IUPACN-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide
SMILESCCCN(c1ccc(CN)cc1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C15H19N3O2S/c1-2-10-18(14-7-5-13(11-16)6-8-14)21(19,20)15-4-3-9-17-12-15/h3-9,12H,2,10-11,16H2,1H3
InChIKeyYPDGSKZMVQYSAY-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.15
Rot. Bonds6

About N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide

N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide (PubChem CID 43275778) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide
PubChem CID43275778
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide
SMILESCCCN(c1ccc(CN)cc1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C15H19N3O2S/c1-2-10-18(14-7-5-13(11-16)6-8-14)21(19,20)15-4-3-9-17-12-15/h3-9,12H,2,10-11,16H2,1H3
InChIKeyYPDGSKZMVQYSAY-UHFFFAOYSA-N
XLogP2.15
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60911604
N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide
CID 4105425
N-[4-(aminomethyl)phenyl]-2-methyl-N-propylpropane-2-sulfonamide
CID 63687286
N-[1-(aminomethyl)cyclopentyl]-N-propylpyridine-3-sulfonamide
CID 62008432
N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide
CID 43275766
N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide
CID 63234070
N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide
CID 76927443
N-(6-amino-3-pyridinyl)-N-methylpyridine-3-sulfonamide
CID 115274544
N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide
CID 62010247
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide
CID 103298460
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide (CID 43275778) is N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide is CCCN(c1ccc(CN)cc1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide?
The InChIKey is YPDGSKZMVQYSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-10-18(14-7-5-13(11-16)6-8-14)21(19,20)15-4-3-9-17-12-15/h3-9,12H,2,10-11,16H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide?
N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide is sourced from PubChem (CID 43275778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).