N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide

C14H20N4O2S — CID 102821759

IUPACN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)Nc1cc(C#CCN)ccn1
InChIInChI=1S/C14H20N4O2S/c1-12-5-2-3-10-18(12)21(19,20)17-14-11-13(6-4-8-15)7-9-16-14/h7,9,11-12H,2-3,5,8,10,15H2,1H3,(H,16,17)
InChIKeyXCWCTBNKGKYETM-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.92
Rot. Bonds3

About N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide (PubChem CID 102821759) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide
PubChem CID102821759
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)Nc1cc(C#CCN)ccn1
InChIInChI=1S/C14H20N4O2S/c1-12-5-2-3-10-18(12)21(19,20)17-14-11-13(6-4-8-15)7-9-16-14/h7,9,11-12H,2-3,5,8,10,15H2,1H3,(H,16,17)
InChIKeyXCWCTBNKGKYETM-UHFFFAOYSA-N
XLogP0.92
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide 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-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-sulfonamide
CID 102821783
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide
CID 102821806
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide
CID 60814619
3-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844776
3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844774
4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 63651770
N-(5-ethyl-1H-pyrazol-3-yl)-2-methylpiperidine-1-sulfonamide
CID 104620642
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-carboxamide
CID 102821734
N-(3-amino-4-pyridinyl)-2-methylpiperidine-1-sulfonamide
CID 63063634
3-[2-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844957
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide
CID 102821519
N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide
CID 112557464

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide (CID 102821759) is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)Nc1cc(C#CCN)ccn1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is XCWCTBNKGKYETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-12-5-2-3-10-18(12)21(19,20)17-14-11-13(6-4-8-15)7-9-16-14/h7,9,11-12H,2-3,5,8,10,15H2,1H3,(H,16,17).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide?
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 102821759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).