2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide

C13H18N4O3S — CID 106545089

IUPAC2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H18N4O3S/c14-11-12-13(3-1-4-15-12)21(18,19)16-5-2-6-17-7-9-20-10-8-17/h1,3-4,16H,2,5-10H2
InChIKeyGMUJKKQTHPJNEF-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.05
Rot. Bonds6

About 2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide

2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide (PubChem CID 106545089) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
PubChem CID106545089
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H18N4O3S/c14-11-12-13(3-1-4-15-12)21(18,19)16-5-2-6-17-7-9-20-10-8-17/h1,3-4,16H,2,5-10H2
InChIKeyGMUJKKQTHPJNEF-UHFFFAOYSA-N
XLogP-0.05
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 43415001
2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
CID 106546358
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide
CID 114248056
2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348234
2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 106546033
methyl 6-[(2-cyano-3-pyridinyl)sulfonylamino]hexanoate
CID 106545225
2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 106595671
2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 106594474
2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide
CID 106546424
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 106545352
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-cyanopyridine-3-sulfonamide
CID 106593209

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide (CID 106545089) is 2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide?
The InChIKey is GMUJKKQTHPJNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c14-11-12-13(3-1-4-15-12)21(18,19)16-5-2-6-17-7-9-20-10-8-17/h1,3-4,16H,2,5-10H2.
What are the key properties of 2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide?
2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106545089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).