N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide

C13H17N3O2S — CID 102821806

IUPACN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide
SMILESNCC#Cc1ccnc(NS(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C13H17N3O2S/c14-8-3-4-11-7-9-15-13(10-11)16-19(17,18)12-5-1-2-6-12/h7,9-10,12H,1-2,5-6,8,14H2,(H,15,16)
InChIKeyHXPOTBWPJQCFCD-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.08
Rot. Bonds3

About N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide (PubChem CID 102821806) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide
PubChem CID102821806
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide
SMILESNCC#Cc1ccnc(NS(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C13H17N3O2S/c14-8-3-4-11-7-9-15-13(10-11)16-19(17,18)12-5-1-2-6-12/h7,9-10,12H,1-2,5-6,8,14H2,(H,15,16)
InChIKeyHXPOTBWPJQCFCD-UHFFFAOYSA-N
XLogP1.08
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Methyl-2-pyridyl)benzenesulfonamide
CID 739341
N-(pyridin-2-yl)methanesulfonamide
CID 2831904
4-(Aminomethyl)pyridin-2-amine
CID 34176886
N-(4-methylpyridin-2-yl)-1-phenylmethanesulfonamide
CID 743631
4-(2-Methanesulphonamidoethyl)pyridine
CID 2797875
2-Amino-N-2-pyridinylethanesulfonamide
CID 198103
N-(5-methylpyridin-2-yl)-1-phenylmethanesulfonamide
CID 759581
N-(5-methylpyridin-2-yl)butane-1-sulfonamide
CID 2094153
6-amino-N-methylpyridine-3-sulfonamide
CID 7147142
4-Ethynylpyridin-2-amine
CID 21097262
2-(Pyridin-4-yl)ethane-1-sulfonamide
CID 54039465
N-(4-methylpyridin-2-yl)nonane-1-sulfonamide
CID 4212475

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide (CID 102821806) is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide is NCC#Cc1ccnc(NS(=O)(=O)C2CCCC2)c1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide?
The InChIKey is HXPOTBWPJQCFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c14-8-3-4-11-7-9-15-13(10-11)16-19(17,18)12-5-1-2-6-12/h7,9-10,12H,1-2,5-6,8,14H2,(H,15,16).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide?
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide is sourced from PubChem (CID 102821806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).