N-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide

C12H21N3O3S — CID 3087657

IUPACN-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cnccc1OC
InChIInChI=1S/C12H21N3O3S/c1-4-15(5-2)9-8-14-19(16,17)12-10-13-7-6-11(12)18-3/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyMKCNLWUTWQQHQW-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.71
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide

N-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide (PubChem CID 3087657) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide
PubChem CID3087657
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cnccc1OC
InChIInChI=1S/C12H21N3O3S/c1-4-15(5-2)9-8-14-19(16,17)12-10-13-7-6-11(12)18-3/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyMKCNLWUTWQQHQW-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 ≤ 500287.38
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide (CID 3087657) is N-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide is CCN(CC)CCNS(=O)(=O)c1cnccc1OC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide?
The InChIKey is MKCNLWUTWQQHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-4-15(5-2)9-8-14-19(16,17)12-10-13-7-6-11(12)18-3/h6-7,10,14H,4-5,8-9H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide?
N-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide has a molecular weight of 287.38 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-[2-(diethylamino)ethyl]-4-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 3087657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).