N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide

C12H19N3O5S2 — CID 166301009

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide
SMILESCCOc1cccnc1S(=O)(=O)NCCN1CCCS1(=O)=O
InChIInChI=1S/C12H19N3O5S2/c1-2-20-11-5-3-6-13-12(11)22(18,19)14-7-9-15-8-4-10-21(15,16)17/h3,5-6,14H,2,4,7-10H2,1H3
InChIKeyDFBVNMLEHGQUAY-UHFFFAOYSA-N
MW349.43 g/mol
LogP-0.21
Rot. Bonds7

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide (PubChem CID 166301009) has the molecular formula C12H19N3O5S2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide
PubChem CID166301009
Molecular FormulaC12H19N3O5S2
Molecular Weight349.43 g/mol
Exact Mass349.08
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide
SMILESCCOc1cccnc1S(=O)(=O)NCCN1CCCS1(=O)=O
InChIInChI=1S/C12H19N3O5S2/c1-2-20-11-5-3-6-13-12(11)22(18,19)14-7-9-15-8-4-10-21(15,16)17/h3,5-6,14H,2,4,7-10H2,1H3
InChIKeyDFBVNMLEHGQUAY-UHFFFAOYSA-N
XLogP-0.21
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide (CID 166301009) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide is CCOc1cccnc1S(=O)(=O)NCCN1CCCS1(=O)=O.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide?
The InChIKey is DFBVNMLEHGQUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S2/c1-2-20-11-5-3-6-13-12(11)22(18,19)14-7-9-15-8-4-10-21(15,16)17/h3,5-6,14H,2,4,7-10H2,1H3.
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide has a molecular weight of 349.43 g/mol, XLogP of -0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethoxypyridine-2-sulfonamide is sourced from PubChem (CID 166301009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).