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

C14H20N4O2S — CID 102821783

IUPACN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2cc(C#CCN)ccn2)CC1
InChIInChI=1S/C14H20N4O2S/c1-12-5-9-18(10-6-12)21(19,20)17-14-11-13(3-2-7-15)4-8-16-14/h4,8,11-12H,5-7,9-10,15H2,1H3,(H,16,17)
InChIKeyFVPOIHZPEGGQJV-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.78
Rot. Bonds3

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

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 102821783) 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]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-sulfonamide
PubChem CID102821783
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2cc(C#CCN)ccn2)CC1
InChIInChI=1S/C14H20N4O2S/c1-12-5-9-18(10-6-12)21(19,20)17-14-11-13(3-2-7-15)4-8-16-14/h4,8,11-12H,5-7,9-10,15H2,1H3,(H,16,17)
InChIKeyFVPOIHZPEGGQJV-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide
CID 102821759
N-[3-(3-aminoprop-1-ynyl)phenyl]-4-methylpiperidine-1-sulfonamide
CID 60814956
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-carboxamide
CID 102821734
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide
CID 102821806
3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844085
N-(5-amino-2-pyridinyl)-4-methylpiperidine-1-sulfonamide
CID 43144684
N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-sulfonamide
CID 104620641
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide
CID 102821519
N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide
CID 55147573
4-(aminomethyl)-N-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 106071212
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 102821444
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide
CID 102821736

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-sulfonamide (CID 102821783) is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)Nc2cc(C#CCN)ccn2)CC1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is FVPOIHZPEGGQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-12-5-9-18(10-6-12)21(19,20)17-14-11-13(3-2-7-15)4-8-16-14/h4,8,11-12H,5-7,9-10,15H2,1H3,(H,16,17).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-sulfonamide?
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 0.78, 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]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 102821783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).