N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide

C12H21N3O2S — CID 61133210

IUPACN-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide
SMILESCCCC(CN)NS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C12H21N3O2S/c1-2-3-12(10-13)15-18(16,17)9-6-11-4-7-14-8-5-11/h4-5,7-8,12,15H,2-3,6,9-10,13H2,1H3
InChIKeyUPPHDOMVNAMOHX-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.67
Rot. Bonds8

About N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide

N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 61133210) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide
PubChem CID61133210
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide
SMILESCCCC(CN)NS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C12H21N3O2S/c1-2-3-12(10-13)15-18(16,17)9-6-11-4-7-14-8-5-11/h4-5,7-8,12,15H,2-3,6,9-10,13H2,1H3
InChIKeyUPPHDOMVNAMOHX-UHFFFAOYSA-N
XLogP0.67
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 61133014
N-(1-aminopentan-2-yl)-3-methylbutane-1-sulfonamide
CID 63834752
methyl 3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoate
CID 60890946
N-(4-amino-2-methylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 66089296
N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891
N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 113376640
4-methylsulfanyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 60892085
N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60892089
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
CID 60892670
4-methoxy-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 62479861

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide (CID 61133210) is N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide is CCCC(CN)NS(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is UPPHDOMVNAMOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-3-12(10-13)15-18(16,17)9-6-11-4-7-14-8-5-11/h4-5,7-8,12,15H,2-3,6,9-10,13H2,1H3.
What are the key properties of N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide?
N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 61133210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).