N-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide

C14H25N3O3S — CID 3071741

IUPACN-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide
SMILESCCOc1ccncc1S(=O)(=O)NCCCN(CC)CC
InChIInChI=1S/C14H25N3O3S/c1-4-17(5-2)11-7-9-16-21(18,19)14-12-15-10-8-13(14)20-6-3/h8,10,12,16H,4-7,9,11H2,1-3H3
InChIKeyOXXNVFCTHLDGKL-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.49
Rot. Bonds10

About N-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide

N-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide (PubChem CID 3071741) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide
PubChem CID3071741
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide
SMILESCCOc1ccncc1S(=O)(=O)NCCCN(CC)CC
InChIInChI=1S/C14H25N3O3S/c1-4-17(5-2)11-7-9-16-21(18,19)14-12-15-10-8-13(14)20-6-3/h8,10,12,16H,4-7,9,11H2,1-3H3
InChIKeyOXXNVFCTHLDGKL-UHFFFAOYSA-N
XLogP1.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide (CID 3071741) is N-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide is CCOc1ccncc1S(=O)(=O)NCCCN(CC)CC.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide?
The InChIKey is OXXNVFCTHLDGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-4-17(5-2)11-7-9-16-21(18,19)14-12-15-10-8-13(14)20-6-3/h8,10,12,16H,4-7,9,11H2,1-3H3.
What are the key properties of N-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide?
N-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-ethoxypyridine-3-sulfonamide is sourced from PubChem (CID 3071741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).