N-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide

C10H17N3O2S — CID 70888079

IUPACN-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide
SMILESCCCC(N)c1ccc(NS(C)(=O)=O)nc1
InChIInChI=1S/C10H17N3O2S/c1-3-4-9(11)8-5-6-10(12-7-8)13-16(2,14)15/h5-7,9H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyRJYKJDYZOSOZRC-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.25
Rot. Bonds5

About N-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide

N-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide (PubChem CID 70888079) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide
PubChem CID70888079
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide
SMILESCCCC(N)c1ccc(NS(C)(=O)=O)nc1
InChIInChI=1S/C10H17N3O2S/c1-3-4-9(11)8-5-6-10(12-7-8)13-16(2,14)15/h5-7,9H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyRJYKJDYZOSOZRC-UHFFFAOYSA-N
XLogP1.25
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine
CID 131097718
N-(5-methoxy-2-pyridinyl)methanesulfonamide
CID 67233634
[5-[(1R)-1-aminobutyl]-2-pyridinyl]methanol
CID 55276847
N-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide
CID 126445500
5-(1-aminopropyl)-N-propylpyridin-2-amine
CID 102546615
N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 790872
N-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide
CID 113030576
1-(4-propylsulfonylphenyl)butan-1-amine
CID 82550637
(1R)-1-(6-methoxy-3-pyridinyl)pentan-1-amine
CID 55278684
N-[5-(2,6-diethylanilino)-2-pyridinyl]methanesulfonamide
CID 113032862
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
N-[5-(2-methoxyethylamino)-2-pyridinyl]methanesulfonamide
CID 113025091

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide (CID 70888079) is N-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide is CCCC(N)c1ccc(NS(C)(=O)=O)nc1.
What is the InChIKey of N-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide?
The InChIKey is RJYKJDYZOSOZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-4-9(11)8-5-6-10(12-7-8)13-16(2,14)15/h5-7,9H,3-4,11H2,1-2H3,(H,12,13).
What are the key properties of N-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide?
N-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 70888079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).