N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide

C13H23N3O2S — CID 103305626

IUPACN-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1ncccc1NC
InChIInChI=1S/C13H23N3O2S/c1-4-5-6-8-11(2)16-19(17,18)13-12(14-3)9-7-10-15-13/h7,9-11,14,16H,4-6,8H2,1-3H3
InChIKeyTUUGGNAVXYGETJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.37
Rot. Bonds8

About N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide

N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide (PubChem CID 103305626) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide
PubChem CID103305626
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1ncccc1NC
InChIInChI=1S/C13H23N3O2S/c1-4-5-6-8-11(2)16-19(17,18)13-12(14-3)9-7-10-15-13/h7,9-11,14,16H,4-6,8H2,1-3H3
InChIKeyTUUGGNAVXYGETJ-UHFFFAOYSA-N
XLogP2.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.37
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-fluoro-N-octan-2-ylpyridine-2-sulfonamide
CID 103299597
2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide
CID 63473663
N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103305515
N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534
N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307693
N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide
CID 55043089
3-(methylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303450
3-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-2-sulfonamide
CID 103301657
3-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-sulfonamide
CID 103304572
N-[4-(furan-2-yl)butan-2-yl]-3-hydrazinylpyridine-2-sulfonamide
CID 103301188
3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide
CID 103307516
N-heptan-2-yl-2-nitropyridin-3-amine
CID 112686460

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide?
The IUPAC name of N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide (CID 103305626) is N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide is CCCCCC(C)NS(=O)(=O)c1ncccc1NC.
What is the InChIKey of N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide?
The InChIKey is TUUGGNAVXYGETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-5-6-8-11(2)16-19(17,18)13-12(14-3)9-7-10-15-13/h7,9-11,14,16H,4-6,8H2,1-3H3.
What are the key properties of N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide?
N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-3-(methylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103305626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).