3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide

C13H21N3O3S — CID 103306082

IUPAC3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide
SMILESNc1cccnc1S(=O)(=O)NCCOC1CCCCC1
InChIInChI=1S/C13H21N3O3S/c14-12-7-4-8-15-13(12)20(17,18)16-9-10-19-11-5-2-1-3-6-11/h4,7-8,11,16H,1-3,5-6,9-10,14H2
InChIKeySHFNOPQLXFDZEE-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.29
Rot. Bonds6

About 3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide

3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide (PubChem CID 103306082) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide
PubChem CID103306082
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide
SMILESNc1cccnc1S(=O)(=O)NCCOC1CCCCC1
InChIInChI=1S/C13H21N3O3S/c14-12-7-4-8-15-13(12)20(17,18)16-9-10-19-11-5-2-1-3-6-11/h4,7-8,11,16H,1-3,5-6,9-10,14H2
InChIKeySHFNOPQLXFDZEE-UHFFFAOYSA-N
XLogP1.29
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide
CID 103303676
3-amino-N-(cyclobutylmethyl)pyridine-2-sulfonamide
CID 103304498
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide
CID 63825126
2-amino-6-chloro-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 63825304
2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine
CID 63825844
3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
CID 103305551
3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine
CID 104540407
N-(2-cyclohexyloxyethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 63829030
2-amino-N-(2-cyclopentyloxyethyl)pyrimidine-5-sulfonamide
CID 55260708
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide
CID 114129366
3-amino-N-(4-methoxybutyl)pyridine-2-sulfonamide
CID 103305180
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide (CID 103306082) is 3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide is Nc1cccnc1S(=O)(=O)NCCOC1CCCCC1.
What is the InChIKey of 3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide?
The InChIKey is SHFNOPQLXFDZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c14-12-7-4-8-15-13(12)20(17,18)16-9-10-19-11-5-2-1-3-6-11/h4,7-8,11,16H,1-3,5-6,9-10,14H2.
What are the key properties of 3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide?
3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 103306082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).