4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide

C10H17N3O2S — CID 61456032

IUPAC4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)CCCCN)n1
InChIInChI=1S/C10H17N3O2S/c1-9-5-4-6-10(12-9)13-16(14,15)8-3-2-7-11/h4-6H,2-3,7-8,11H2,1H3,(H,12,13)
InChIKeyCOMFLSUUYYLTOC-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.87
Rot. Bonds6

About 4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide

4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide (PubChem CID 61456032) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide
PubChem CID61456032
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)CCCCN)n1
InChIInChI=1S/C10H17N3O2S/c1-9-5-4-6-10(12-9)13-16(14,15)8-3-2-7-11/h4-6H,2-3,7-8,11H2,1H3,(H,12,13)
InChIKeyCOMFLSUUYYLTOC-UHFFFAOYSA-N
XLogP0.87
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide
CID 106086909
4-amino-N-pyridin-2-ylbutane-1-sulfonamide
CID 61456018
N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54973693
4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide
CID 61456563
N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide
CID 104821637
N-(6-bromo-2-pyridinyl)butane-1-sulfonamide
CID 43520639
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086961
N-iodo-6-methylpyridin-2-amine
CID 134375052
4-amino-N-(3-ethylphenyl)butane-1-sulfonamide
CID 54952501
5-(aminomethyl)-2-bromo-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086989
1-(2-aminoethyl)-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 106086842

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide (CID 61456032) is 4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide is Cc1cccc(NS(=O)(=O)CCCCN)n1.
What is the InChIKey of 4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide?
The InChIKey is COMFLSUUYYLTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-9-5-4-6-10(12-9)13-16(14,15)8-3-2-7-11/h4-6H,2-3,7-8,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide?
4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 61456032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).