thian-3-ylmethanesulfonamide

C6H13NO2S2 — CID 115020407

IUPACthian-3-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1CCCSC1
InChIInChI=1S/C6H13NO2S2/c7-11(8,9)5-6-2-1-3-10-4-6/h6H,1-5H2,(H2,7,8,9)
InChIKeyQZQAWRIBZDGSHY-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.42
Rot. Bonds2

About thian-3-ylmethanesulfonamide

thian-3-ylmethanesulfonamide (PubChem CID 115020407) has the molecular formula C6H13NO2S2 and a molecular weight of 195.31 g/mol. Its IUPAC name is thian-3-ylmethanesulfonamide.

Molecular Properties

Compound Namethian-3-ylmethanesulfonamide
PubChem CID115020407
Molecular FormulaC6H13NO2S2
Molecular Weight195.31 g/mol
Exact Mass195.04
IUPAC Namethian-3-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1CCCSC1
InChIInChI=1S/C6H13NO2S2/c7-11(8,9)5-6-2-1-3-10-4-6/h6H,1-5H2,(H2,7,8,9)
InChIKeyQZQAWRIBZDGSHY-UHFFFAOYSA-N
XLogP0.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thian-3-ylmethanesulfonamide?
The IUPAC name of thian-3-ylmethanesulfonamide (CID 115020407) is thian-3-ylmethanesulfonamide.
What is the SMILES notation for thian-3-ylmethanesulfonamide?
The canonical SMILES for thian-3-ylmethanesulfonamide is NS(=O)(=O)CC1CCCSC1.
What is the InChIKey of thian-3-ylmethanesulfonamide?
The InChIKey is QZQAWRIBZDGSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S2/c7-11(8,9)5-6-2-1-3-10-4-6/h6H,1-5H2,(H2,7,8,9).
What are the key properties of thian-3-ylmethanesulfonamide?
thian-3-ylmethanesulfonamide has a molecular weight of 195.31 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thian-3-ylmethanesulfonamide is sourced from PubChem (CID 115020407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).