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

C12H21N3O3S — CID 3071740

IUPACN-[3-(dimethylamino)propyl]-4-ethoxypyridine-3-sulfonamide
SMILESCCOc1ccncc1S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C12H21N3O3S/c1-4-18-11-6-8-13-10-12(11)19(16,17)14-7-5-9-15(2)3/h6,8,10,14H,4-5,7,9H2,1-3H3
InChIKeyXEQAQHROLLRVFS-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.71
Rot. Bonds8

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

N-[3-(dimethylamino)propyl]-4-ethoxypyridine-3-sulfonamide (PubChem CID 3071740) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-ethoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-ethoxypyridine-3-sulfonamide
PubChem CID3071740
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC NameN-[3-(dimethylamino)propyl]-4-ethoxypyridine-3-sulfonamide
SMILESCCOc1ccncc1S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C12H21N3O3S/c1-4-18-11-6-8-13-10-12(11)19(16,17)14-7-5-9-15(2)3/h6,8,10,14H,4-5,7,9H2,1-3H3
InChIKeyXEQAQHROLLRVFS-UHFFFAOYSA-N
XLogP0.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.71
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-(dimethylamino)propyl]-4-ethoxypyridine-3-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-ethoxypyridine-3-sulfonamide (CID 3071740) is N-[3-(dimethylamino)propyl]-4-ethoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-ethoxypyridine-3-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-ethoxypyridine-3-sulfonamide is CCOc1ccncc1S(=O)(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-ethoxypyridine-3-sulfonamide?
The InChIKey is XEQAQHROLLRVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-4-18-11-6-8-13-10-12(11)19(16,17)14-7-5-9-15(2)3/h6,8,10,14H,4-5,7,9H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-4-ethoxypyridine-3-sulfonamide?
N-[3-(dimethylamino)propyl]-4-ethoxypyridine-3-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-ethoxypyridine-3-sulfonamide is sourced from PubChem (CID 3071740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).