N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide

C13H19N3O2S — CID 63856620

IUPACN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1cccc(C#CCN)n1
InChIInChI=1S/C13H19N3O2S/c1-11(2)8-10-19(17,18)16-13-7-3-5-12(15-13)6-4-9-14/h3,5,7,11H,8-10,14H2,1-2H3,(H,15,16)
InChIKeyKPAAPULDIYPZPM-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.18
Rot. Bonds5

About N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide (PubChem CID 63856620) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide
PubChem CID63856620
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1cccc(C#CCN)n1
InChIInChI=1S/C13H19N3O2S/c1-11(2)8-10-19(17,18)16-13-7-3-5-12(15-13)6-4-9-14/h3,5,7,11H,8-10,14H2,1-2H3,(H,15,16)
InChIKeyKPAAPULDIYPZPM-UHFFFAOYSA-N
XLogP1.18
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.18
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-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide
CID 60814632
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide
CID 63246213
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 60814463
3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol
CID 114816389
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonamide
CID 82842780
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylbutane-1-sulfonamide
CID 82766363
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbutane-1-sulfonamide
CID 63856077
3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol
CID 114811711
ethyl 2-[[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]sulfamoyl]acetate
CID 61457398
N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide
CID 63834583
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylsulfanylbenzamide
CID 79214105
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002399

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide?
The IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide (CID 63856620) is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)Nc1cccc(C#CCN)n1.
What is the InChIKey of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide?
The InChIKey is KPAAPULDIYPZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-11(2)8-10-19(17,18)16-13-7-3-5-12(15-13)6-4-9-14/h3,5,7,11H,8-10,14H2,1-2H3,(H,15,16).
What are the key properties of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide?
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 63856620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).