N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide

C10H19NO6S3 — CID 3470049

IUPACN-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide
SMILESCN(C1(C)CCS(=O)(=O)C1)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO6S3/c1-10(4-6-19(14,15)8-10)11(2)20(16,17)9-3-5-18(12,13)7-9/h9H,3-8H2,1-2H3
InChIKeyMTNFQUUARKXXKX-UHFFFAOYSA-N
MW345.46 g/mol
LogP-0.99
Rot. Bonds3

About N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide

N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 3470049) has the molecular formula C10H19NO6S3 and a molecular weight of 345.46 g/mol. Its IUPAC name is N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide
PubChem CID3470049
Molecular FormulaC10H19NO6S3
Molecular Weight345.46 g/mol
Exact Mass345.04
IUPAC NameN-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide
SMILESCN(C1(C)CCS(=O)(=O)C1)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO6S3/c1-10(4-6-19(14,15)8-10)11(2)20(16,17)9-3-5-18(12,13)7-9/h9H,3-8H2,1-2H3
InChIKeyMTNFQUUARKXXKX-UHFFFAOYSA-N
XLogP-0.99
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide (CID 3470049) is N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide is CN(C1(C)CCS(=O)(=O)C1)S(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is MTNFQUUARKXXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S3/c1-10(4-6-19(14,15)8-10)11(2)20(16,17)9-3-5-18(12,13)7-9/h9H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide?
N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 345.46 g/mol, XLogP of -0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 3470049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).