5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide

C15H21N3O2S — CID 63656372

IUPAC5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C15H21N3O2S/c1-18(12-13-5-2-3-6-13)21(19,20)15-9-14(7-4-8-16)10-17-11-15/h9-11,13H,2-3,5-6,8,12,16H2,1H3
InChIKeyPDLUZORVXSDVIK-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.20
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide

5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide (PubChem CID 63656372) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide
PubChem CID63656372
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C15H21N3O2S/c1-18(12-13-5-2-3-6-13)21(19,20)15-9-14(7-4-8-16)10-17-11-15/h9-11,13H,2-3,5-6,8,12,16H2,1H3
InChIKeyPDLUZORVXSDVIK-UHFFFAOYSA-N
XLogP1.20
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-sulfonamide
CID 63655761
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82729501
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide
CID 63655551
5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107415019
N-cyclopropyl-N-(cyclopropylmethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide
CID 64522418
N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
CID 61443170
5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62640359
2-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N,4-dimethylbenzenesulfonamide
CID 62856269
[1-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 115966572
5-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide
CID 63692569
N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-sulfonamide
CID 63700384
3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine
CID 63218959

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide (CID 63656372) is 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide is CN(CC1CCCC1)S(=O)(=O)c1cncc(C#CCN)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is PDLUZORVXSDVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-18(12-13-5-2-3-6-13)21(19,20)15-9-14(7-4-8-16)10-17-11-15/h9-11,13H,2-3,5-6,8,12,16H2,1H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide?
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 63656372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).