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

C6H13NO4S2 — CID 60681197

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide
SMILESCC1(NS(C)(=O)=O)CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO4S2/c1-6(7-12(2,8)9)3-4-13(10,11)5-6/h7H,3-5H2,1-2H3
InChIKeyGOKRJDZKQZIDFS-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.89
Rot. Bonds2

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

N-(3-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide (PubChem CID 60681197) has the molecular formula C6H13NO4S2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide
PubChem CID60681197
Molecular FormulaC6H13NO4S2
Molecular Weight227.31 g/mol
Exact Mass227.03
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide
SMILESCC1(NS(C)(=O)=O)CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO4S2/c1-6(7-12(2,8)9)3-4-13(10,11)5-6/h7H,3-5H2,1-2H3
InChIKeyGOKRJDZKQZIDFS-UHFFFAOYSA-N
XLogP-0.89
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-(3-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide (CID 60681197) is N-(3-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide is CC1(NS(C)(=O)=O)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide?
The InChIKey is GOKRJDZKQZIDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S2/c1-6(7-12(2,8)9)3-4-13(10,11)5-6/h7H,3-5H2,1-2H3.
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide has a molecular weight of 227.31 g/mol, XLogP of -0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide is sourced from PubChem (CID 60681197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).