N-ethyl-N-methylthiomorpholine-4-sulfonamide

C7H16N2O2S2 — CID 58831796

IUPACN-ethyl-N-methylthiomorpholine-4-sulfonamide
SMILESCCN(C)S(=O)(=O)N1CCSCC1
InChIInChI=1S/C7H16N2O2S2/c1-3-8(2)13(10,11)9-4-6-12-7-5-9/h3-7H2,1-2H3
InChIKeyZAADWGCKBGIRIV-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.23
Rot. Bonds3

About N-ethyl-N-methylthiomorpholine-4-sulfonamide

N-ethyl-N-methylthiomorpholine-4-sulfonamide (PubChem CID 58831796) has the molecular formula C7H16N2O2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-ethyl-N-methylthiomorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-methylthiomorpholine-4-sulfonamide
PubChem CID58831796
Molecular FormulaC7H16N2O2S2
Molecular Weight224.35 g/mol
Exact Mass224.07
IUPAC NameN-ethyl-N-methylthiomorpholine-4-sulfonamide
SMILESCCN(C)S(=O)(=O)N1CCSCC1
InChIInChI=1S/C7H16N2O2S2/c1-3-8(2)13(10,11)9-4-6-12-7-5-9/h3-7H2,1-2H3
InChIKeyZAADWGCKBGIRIV-UHFFFAOYSA-N
XLogP0.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylthiomorpholine-4-sulfonamide?
The IUPAC name of N-ethyl-N-methylthiomorpholine-4-sulfonamide (CID 58831796) is N-ethyl-N-methylthiomorpholine-4-sulfonamide.
What is the SMILES notation for N-ethyl-N-methylthiomorpholine-4-sulfonamide?
The canonical SMILES for N-ethyl-N-methylthiomorpholine-4-sulfonamide is CCN(C)S(=O)(=O)N1CCSCC1.
What is the InChIKey of N-ethyl-N-methylthiomorpholine-4-sulfonamide?
The InChIKey is ZAADWGCKBGIRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S2/c1-3-8(2)13(10,11)9-4-6-12-7-5-9/h3-7H2,1-2H3.
What are the key properties of N-ethyl-N-methylthiomorpholine-4-sulfonamide?
N-ethyl-N-methylthiomorpholine-4-sulfonamide has a molecular weight of 224.35 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylthiomorpholine-4-sulfonamide is sourced from PubChem (CID 58831796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).