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

C9H17NO6S3 — CID 3152338

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-1,1-dioxothiolane-3-sulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO6S3/c1-10(8-2-4-17(11,12)6-8)19(15,16)9-3-5-18(13,14)7-9/h8-9H,2-7H2,1H3
InChIKeyZIJIVXQYSFDFGT-UHFFFAOYSA-N
MW331.44 g/mol
LogP-1.38
Rot. Bonds3

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

N-(1,1-dioxothiolan-3-yl)-N-methyl-1,1-dioxothiolane-3-sulfonamide (PubChem CID 3152338) has the molecular formula C9H17NO6S3 and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-1,1-dioxothiolane-3-sulfonamide
PubChem CID3152338
Molecular FormulaC9H17NO6S3
Molecular Weight331.44 g/mol
Exact Mass331.02
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-1,1-dioxothiolane-3-sulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO6S3/c1-10(8-2-4-17(11,12)6-8)19(15,16)9-3-5-18(13,14)7-9/h8-9H,2-7H2,1H3
InChIKeyZIJIVXQYSFDFGT-UHFFFAOYSA-N
XLogP-1.38
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,1-dioxothiolane-3-sulfonamide (CID 3152338) is N-(1,1-dioxothiolan-3-yl)-N-methyl-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-1,1-dioxothiolane-3-sulfonamide is CN(C1CCS(=O)(=O)C1)S(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is ZIJIVXQYSFDFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S3/c1-10(8-2-4-17(11,12)6-8)19(15,16)9-3-5-18(13,14)7-9/h8-9H,2-7H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-1,1-dioxothiolane-3-sulfonamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 331.44 g/mol, XLogP of -1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 3152338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).