5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide

C15H21N3O2S — CID 107415019

IUPAC5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2cncc(C#CCN)c2)C1
InChIInChI=1S/C15H21N3O2S/c1-12-4-5-14(7-12)10-18-21(19,20)15-8-13(3-2-6-16)9-17-11-15/h8-9,11-12,14,18H,4-7,10,16H2,1H3
InChIKeyHHAZGGTYJBSSEY-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.11
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide

5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide (PubChem CID 107415019) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
PubChem CID107415019
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2cncc(C#CCN)c2)C1
InChIInChI=1S/C15H21N3O2S/c1-12-4-5-14(7-12)10-18-21(19,20)15-8-13(3-2-6-16)9-17-11-15/h8-9,11-12,14,18H,4-7,10,16H2,1H3
InChIKeyHHAZGGTYJBSSEY-UHFFFAOYSA-N
XLogP1.11
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide (CID 107415019) is 5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide is CC1CCC(CNS(=O)(=O)c2cncc(C#CCN)c2)C1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide?
The InChIKey is HHAZGGTYJBSSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-12-4-5-14(7-12)10-18-21(19,20)15-8-13(3-2-6-16)9-17-11-15/h8-9,11-12,14,18H,4-7,10,16H2,1H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide?
5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 107415019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).