2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine

C13H19N3O3S — CID 102821702

IUPAC2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine
SMILESCCN(CC)S(=O)(=O)Nc1cc(C#CCCO)ccn1
InChIInChI=1S/C13H19N3O3S/c1-3-16(4-2)20(18,19)15-13-11-12(8-9-14-13)7-5-6-10-17/h8-9,11,17H,3-4,6,10H2,1-2H3,(H,14,15)
InChIKeyJZZRMGJCZLYRDB-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.81
Rot. Bonds6

About 2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine

2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine (PubChem CID 102821702) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine.

Molecular Properties

Compound Name2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine
PubChem CID102821702
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine
SMILESCCN(CC)S(=O)(=O)Nc1cc(C#CCCO)ccn1
InChIInChI=1S/C13H19N3O3S/c1-3-16(4-2)20(18,19)15-13-11-12(8-9-14-13)7-5-6-10-17/h8-9,11,17H,3-4,6,10H2,1-2H3,(H,14,15)
InChIKeyJZZRMGJCZLYRDB-UHFFFAOYSA-N
XLogP0.81
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide
CID 102821679
4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol
CID 102821691
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide
CID 102821699
3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol
CID 102821654
2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide
CID 102821194
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 102821240
1-ethyl-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentane-1-carboxamide
CID 102821143
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60981199
4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821220
N-butyl-N-ethyl-4-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 60822914
4,4,4-trifluoro-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821162
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide
CID 102821245

Frequently Asked Questions

What is the IUPAC name of 2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine?
The IUPAC name of 2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine (CID 102821702) is 2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine.
What is the SMILES notation for 2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine?
The canonical SMILES for 2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine is CCN(CC)S(=O)(=O)Nc1cc(C#CCCO)ccn1.
What is the InChIKey of 2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine?
The InChIKey is JZZRMGJCZLYRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-16(4-2)20(18,19)15-13-11-12(8-9-14-13)7-5-6-10-17/h8-9,11,17H,3-4,6,10H2,1-2H3,(H,14,15).
What are the key properties of 2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine?
2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine has a molecular weight of 297.38 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine is sourced from PubChem (CID 102821702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).