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

C5H11NO4S2 — CID 25047953

IUPACN-(1,1-dioxothiolan-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO4S2/c1-11(7,8)6-5-2-3-12(9,10)4-5/h5-6H,2-4H2,1H3
InChIKeyGYFPLYGJXACPJZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP-1.28
Rot. Bonds2

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

N-(1,1-dioxothiolan-3-yl)methanesulfonamide (PubChem CID 25047953) has the molecular formula C5H11NO4S2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)methanesulfonamide
PubChem CID25047953
Molecular FormulaC5H11NO4S2
Molecular Weight213.28 g/mol
Exact Mass213.01
IUPAC NameN-(1,1-dioxothiolan-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO4S2/c1-11(7,8)6-5-2-3-12(9,10)4-5/h5-6H,2-4H2,1H3
InChIKeyGYFPLYGJXACPJZ-UHFFFAOYSA-N
XLogP-1.28
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.28
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)methanesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)methanesulfonamide (CID 25047953) is N-(1,1-dioxothiolan-3-yl)methanesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)methanesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)methanesulfonamide is CS(=O)(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)methanesulfonamide?
The InChIKey is GYFPLYGJXACPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S2/c1-11(7,8)6-5-2-3-12(9,10)4-5/h5-6H,2-4H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)methanesulfonamide?
N-(1,1-dioxothiolan-3-yl)methanesulfonamide has a molecular weight of 213.28 g/mol, XLogP of -1.28, 2 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)methanesulfonamide is sourced from PubChem (CID 25047953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).