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

C12H21N3O2S — CID 61133014

IUPACN-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide
SMILESCCCC(CN)NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C12H21N3O2S/c1-2-5-12(10-13)15-18(16,17)9-7-11-6-3-4-8-14-11/h3-4,6,8,12,15H,2,5,7,9-10,13H2,1H3
InChIKeyJWBSOQQLDDBREG-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.67
Rot. Bonds8

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

N-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 61133014) 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-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide
PubChem CID61133014
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide
SMILESCCCC(CN)NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C12H21N3O2S/c1-2-5-12(10-13)15-18(16,17)9-7-11-6-3-4-8-14-11/h3-4,6,8,12,15H,2,5,7,9-10,13H2,1H3
InChIKeyJWBSOQQLDDBREG-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-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 114298456
2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid
CID 60865090
3-(2-pyridin-2-ylethylsulfonylamino)pentanethioamide
CID 55101780
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 25046012
N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 106154324
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094
(2R)-4-methylsulfanyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 104906602
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173
N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 115365959
3,3-dimethyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 60864746
5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid
CID 82854201
4-amino-4-oxo-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 60864910

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide (CID 61133014) is N-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide is CCCC(CN)NS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is JWBSOQQLDDBREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-5-12(10-13)15-18(16,17)9-7-11-6-3-4-8-14-11/h3-4,6,8,12,15H,2,5,7,9-10,13H2,1H3.
What are the key properties of N-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide?
N-(1-aminopentan-2-yl)-2-pyridin-2-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-2-ylethanesulfonamide is sourced from PubChem (CID 61133014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).