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

C8H18N2O4S2 — CID 48946622

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN1CCCS1(=O)=O
InChIInChI=1S/C8H18N2O4S2/c1-2-7-15(11,12)9-4-6-10-5-3-8-16(10,13)14/h9H,2-8H2,1H3
InChIKeyPOGJXZMFMSUNEA-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.65
Rot. Bonds6

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

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propane-1-sulfonamide (PubChem CID 48946622) has the molecular formula C8H18N2O4S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propane-1-sulfonamide
PubChem CID48946622
Molecular FormulaC8H18N2O4S2
Molecular Weight270.38 g/mol
Exact Mass270.07
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN1CCCS1(=O)=O
InChIInChI=1S/C8H18N2O4S2/c1-2-7-15(11,12)9-4-6-10-5-3-8-16(10,13)14/h9H,2-8H2,1H3
InChIKeyPOGJXZMFMSUNEA-UHFFFAOYSA-N
XLogP-0.65
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propane-1-sulfonamide (CID 48946622) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCN1CCCS1(=O)=O.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propane-1-sulfonamide?
The InChIKey is POGJXZMFMSUNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S2/c1-2-7-15(11,12)9-4-6-10-5-3-8-16(10,13)14/h9H,2-8H2,1H3.
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propane-1-sulfonamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propane-1-sulfonamide has a molecular weight of 270.38 g/mol, XLogP of -0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 48946622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).