N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide

C13H23N3O2S — CID 106154324

IUPACN-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
SMILESCC(CN)CCCNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H23N3O2S/c1-12(11-14)5-4-9-16-19(17,18)10-7-13-6-2-3-8-15-13/h2-3,6,8,12,16H,4-5,7,9-11,14H2,1H3
InChIKeyKYIQXMILHSGABT-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.92
Rot. Bonds9

About N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide

N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 106154324) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID106154324
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
SMILESCC(CN)CCCNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H23N3O2S/c1-12(11-14)5-4-9-16-19(17,18)10-7-13-6-2-3-8-15-13/h2-3,6,8,12,16H,4-5,7,9-11,14H2,1H3
InChIKeyKYIQXMILHSGABT-UHFFFAOYSA-N
XLogP0.92
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide
CID 63296937
N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 115365959
N-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 61133014
N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide
CID 61343078
N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 107158232
N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide
CID 65030639
3-methyl-2-[(2-pyridin-2-ylethylsulfonylamino)methyl]butanoic acid
CID 65220958
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 25046012
ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
CID 60863124
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide
CID 103844738

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide (CID 106154324) is N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide is CC(CN)CCCNS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is KYIQXMILHSGABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-12(11-14)5-4-9-16-19(17,18)10-7-13-6-2-3-8-15-13/h2-3,6,8,12,16H,4-5,7,9-11,14H2,1H3.
What are the key properties of N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide?
N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 0.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 106154324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).