N-(1,1-dioxothiolan-3-yl)ethanesulfonamide

C6H13NO4S2 — CID 61355502

IUPACN-(1,1-dioxothiolan-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO4S2/c1-2-13(10,11)7-6-3-4-12(8,9)5-6/h6-7H,2-5H2,1H3
InChIKeyCRBCDJQGECVKFW-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.89
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)ethanesulfonamide

N-(1,1-dioxothiolan-3-yl)ethanesulfonamide (PubChem CID 61355502) has the molecular formula C6H13NO4S2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)ethanesulfonamide
PubChem CID61355502
Molecular FormulaC6H13NO4S2
Molecular Weight227.31 g/mol
Exact Mass227.03
IUPAC NameN-(1,1-dioxothiolan-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO4S2/c1-2-13(10,11)7-6-3-4-12(8,9)5-6/h6-7H,2-5H2,1H3
InChIKeyCRBCDJQGECVKFW-UHFFFAOYSA-N
XLogP-0.89
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)ethanesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)ethanesulfonamide (CID 61355502) is N-(1,1-dioxothiolan-3-yl)ethanesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)ethanesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)ethanesulfonamide is CCS(=O)(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)ethanesulfonamide?
The InChIKey is CRBCDJQGECVKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S2/c1-2-13(10,11)7-6-3-4-12(8,9)5-6/h6-7H,2-5H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)ethanesulfonamide?
N-(1,1-dioxothiolan-3-yl)ethanesulfonamide has a molecular weight of 227.31 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)ethanesulfonamide is sourced from PubChem (CID 61355502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).