N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide

C12H21N3O2S — CID 113498094

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

About N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide

N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 113498094) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID113498094
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
SMILESCCC(N)CCNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C12H21N3O2S/c1-2-11(13)6-9-15-18(16,17)10-7-12-5-3-4-8-14-12/h3-5,8,11,15H,2,6-7,9-10,13H2,1H3
InChIKeyQVWLIRVYSNCCLV-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-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 106154324
ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
CID 60863124
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide
CID 63296937
N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide
CID 61343078
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-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide
CID 103844738
N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 114298456
N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 107158232
N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 60864926
3-(2-pyridin-2-ylethylsulfonylamino)pentanethioamide
CID 55101780

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide (CID 113498094) is N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide is CCC(N)CCNS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is QVWLIRVYSNCCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-11(13)6-9-15-18(16,17)10-7-12-5-3-4-8-14-12/h3-5,8,11,15H,2,6-7,9-10,13H2,1H3.
What are the key properties of N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide?
N-(3-aminopentyl)-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-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 113498094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).