5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide

C13H20N4O2S — CID 62640359

IUPAC5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
SMILESCCN(C)CCNS(=O)(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C13H20N4O2S/c1-3-17(2)8-7-16-20(18,19)13-9-12(5-4-6-14)10-15-11-13/h9-11,16H,3,6-8,14H2,1-2H3
InChIKeyUOROJQIYNKHKBH-UHFFFAOYSA-N
MW296.40 g/mol
LogP-0.38
Rot. Bonds6

About 5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide

5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide (PubChem CID 62640359) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
PubChem CID62640359
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
SMILESCCN(C)CCNS(=O)(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C13H20N4O2S/c1-3-17(2)8-7-16-20(18,19)13-9-12(5-4-6-14)10-15-11-13/h9-11,16H,3,6-8,14H2,1-2H3
InChIKeyUOROJQIYNKHKBH-UHFFFAOYSA-N
XLogP-0.38
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
CID 104765008
5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240785
5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107415019
5-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide
CID 63692569
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-sulfonamide
CID 63656372
4-(3-aminoprop-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640361
5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide
CID 65481170
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 10540463
5-cyano-N-ethylpyridine-3-sulfonamide
CID 130585950
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82729501
6-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62640395
3-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-nitrobenzenesulfonamide
CID 82846355

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide (CID 62640359) is 5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide is CCN(C)CCNS(=O)(=O)c1cncc(C#CCN)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
The InChIKey is UOROJQIYNKHKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-3-17(2)8-7-16-20(18,19)13-9-12(5-4-6-14)10-15-11-13/h9-11,16H,3,6-8,14H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide has a molecular weight of 296.40 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62640359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).