N-methyl-1,4-dithiane-2-sulfonamide

C5H11NO2S3 — CID 23534456

IUPACN-methyl-1,4-dithiane-2-sulfonamide
SMILESCNS(=O)(=O)C1CSCCS1
InChIInChI=1S/C5H11NO2S3/c1-6-11(7,8)5-4-9-2-3-10-5/h5-6H,2-4H2,1H3
InChIKeyYKWSGJXBNMDEQH-UHFFFAOYSA-N
MW213.35 g/mol
LogP0.34
Rot. Bonds2

About N-methyl-1,4-dithiane-2-sulfonamide

N-methyl-1,4-dithiane-2-sulfonamide (PubChem CID 23534456) has the molecular formula C5H11NO2S3 and a molecular weight of 213.35 g/mol. Its IUPAC name is N-methyl-1,4-dithiane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-1,4-dithiane-2-sulfonamide
PubChem CID23534456
Molecular FormulaC5H11NO2S3
Molecular Weight213.35 g/mol
Exact Mass213.00
IUPAC NameN-methyl-1,4-dithiane-2-sulfonamide
SMILESCNS(=O)(=O)C1CSCCS1
InChIInChI=1S/C5H11NO2S3/c1-6-11(7,8)5-4-9-2-3-10-5/h5-6H,2-4H2,1H3
InChIKeyYKWSGJXBNMDEQH-UHFFFAOYSA-N
XLogP0.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,4-dithiane-2-sulfonamide?
The IUPAC name of N-methyl-1,4-dithiane-2-sulfonamide (CID 23534456) is N-methyl-1,4-dithiane-2-sulfonamide.
What is the SMILES notation for N-methyl-1,4-dithiane-2-sulfonamide?
The canonical SMILES for N-methyl-1,4-dithiane-2-sulfonamide is CNS(=O)(=O)C1CSCCS1.
What is the InChIKey of N-methyl-1,4-dithiane-2-sulfonamide?
The InChIKey is YKWSGJXBNMDEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S3/c1-6-11(7,8)5-4-9-2-3-10-5/h5-6H,2-4H2,1H3.
What are the key properties of N-methyl-1,4-dithiane-2-sulfonamide?
N-methyl-1,4-dithiane-2-sulfonamide has a molecular weight of 213.35 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,4-dithiane-2-sulfonamide is sourced from PubChem (CID 23534456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).