2-methyl-3-(sulfamoylamino)thiolane

C5H12N2O2S2 — CID 131142743

IUPAC2-methyl-3-(sulfamoylamino)thiolane
SMILESCC1SCCC1NS(N)(=O)=O
InChIInChI=1S/C5H12N2O2S2/c1-4-5(2-3-10-4)7-11(6,8)9/h4-5,7H,2-3H2,1H3,(H2,6,8,9)
InChIKeyKHEDTOOQFPMLBN-UHFFFAOYSA-N
MW196.30 g/mol
LogP-0.33
Rot. Bonds2

About 2-methyl-3-(sulfamoylamino)thiolane

2-methyl-3-(sulfamoylamino)thiolane (PubChem CID 131142743) has the molecular formula C5H12N2O2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-methyl-3-(sulfamoylamino)thiolane.

Molecular Properties

Compound Name2-methyl-3-(sulfamoylamino)thiolane
PubChem CID131142743
Molecular FormulaC5H12N2O2S2
Molecular Weight196.30 g/mol
Exact Mass196.03
IUPAC Name2-methyl-3-(sulfamoylamino)thiolane
SMILESCC1SCCC1NS(N)(=O)=O
InChIInChI=1S/C5H12N2O2S2/c1-4-5(2-3-10-4)7-11(6,8)9/h4-5,7H,2-3H2,1H3,(H2,6,8,9)
InChIKeyKHEDTOOQFPMLBN-UHFFFAOYSA-N
XLogP-0.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(sulfamoylamino)thiolane?
The IUPAC name of 2-methyl-3-(sulfamoylamino)thiolane (CID 131142743) is 2-methyl-3-(sulfamoylamino)thiolane.
What is the SMILES notation for 2-methyl-3-(sulfamoylamino)thiolane?
The canonical SMILES for 2-methyl-3-(sulfamoylamino)thiolane is CC1SCCC1NS(N)(=O)=O.
What is the InChIKey of 2-methyl-3-(sulfamoylamino)thiolane?
The InChIKey is KHEDTOOQFPMLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S2/c1-4-5(2-3-10-4)7-11(6,8)9/h4-5,7H,2-3H2,1H3,(H2,6,8,9).
What are the key properties of 2-methyl-3-(sulfamoylamino)thiolane?
2-methyl-3-(sulfamoylamino)thiolane has a molecular weight of 196.30 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(sulfamoylamino)thiolane is sourced from PubChem (CID 131142743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).