N-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide

C13H17N3O3S — CID 71792740

IUPACN-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC#CCN1CCOCC1)c1cccnc1
InChIInChI=1S/C13H17N3O3S/c17-20(18,13-4-3-5-14-12-13)15-6-1-2-7-16-8-10-19-11-9-16/h3-5,12,15H,6-11H2
InChIKeySRODTOKWJHSEDS-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.30
Rot. Bonds4

About N-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide

N-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide (PubChem CID 71792740) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide
PubChem CID71792740
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC#CCN1CCOCC1)c1cccnc1
InChIInChI=1S/C13H17N3O3S/c17-20(18,13-4-3-5-14-12-13)15-6-1-2-7-16-8-10-19-11-9-16/h3-5,12,15H,6-11H2
InChIKeySRODTOKWJHSEDS-UHFFFAOYSA-N
XLogP-0.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide
CID 71792745
4-[[[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70655448
2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 55824192
N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide
CID 71802961
N-[4-(2-methylphenoxy)but-2-ynyl]pyridine-3-sulfonamide
CID 90575421
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
N-propylpyridine-3-sulfonamide
CID 43258995
4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30888568
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide
CID 91643668
(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
CID 104935920

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide?
The IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide (CID 71792740) is N-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide is O=S(=O)(NCC#CCN1CCOCC1)c1cccnc1.
What is the InChIKey of N-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide?
The InChIKey is SRODTOKWJHSEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-20(18,13-4-3-5-14-12-13)15-6-1-2-7-16-8-10-19-11-9-16/h3-5,12,15H,6-11H2.
What are the key properties of N-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide?
N-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylbut-2-ynyl)pyridine-3-sulfonamide is sourced from PubChem (CID 71792740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).