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

C6H13NO4S2 — CID 18573645

IUPACN-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C6H13NO4S2/c1-7(12(2,8)9)6-3-4-13(10,11)5-6/h6H,3-5H2,1-2H3
InChIKeyYFEPKXBMAOGTGM-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.94
Rot. Bonds2

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

N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide (PubChem CID 18573645) has the molecular formula C6H13NO4S2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide
PubChem CID18573645
Molecular FormulaC6H13NO4S2
Molecular Weight227.31 g/mol
Exact Mass227.03
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C6H13NO4S2/c1-7(12(2,8)9)6-3-4-13(10,11)5-6/h6H,3-5H2,1-2H3
InChIKeyYFEPKXBMAOGTGM-UHFFFAOYSA-N
XLogP-0.94
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide (CID 18573645) is N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide is CN(C1CCS(=O)(=O)C1)S(C)(=O)=O.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide?
The InChIKey is YFEPKXBMAOGTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S2/c1-7(12(2,8)9)6-3-4-13(10,11)5-6/h6H,3-5H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide?
N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide has a molecular weight of 227.31 g/mol, XLogP of -0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 18573645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).