N-ethyl-1,1-dioxothiane-4-sulfonamide

C7H15NO4S2 — CID 62086014

IUPACN-ethyl-1,1-dioxothiane-4-sulfonamide
SMILESCCNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO4S2/c1-2-8-14(11,12)7-3-5-13(9,10)6-4-7/h7-8H,2-6H2,1H3
InChIKeyBIONPMTZUKXWHF-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.50
Rot. Bonds3

About N-ethyl-1,1-dioxothiane-4-sulfonamide

N-ethyl-1,1-dioxothiane-4-sulfonamide (PubChem CID 62086014) has the molecular formula C7H15NO4S2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-ethyl-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1-dioxothiane-4-sulfonamide
PubChem CID62086014
Molecular FormulaC7H15NO4S2
Molecular Weight241.33 g/mol
Exact Mass241.04
IUPAC NameN-ethyl-1,1-dioxothiane-4-sulfonamide
SMILESCCNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO4S2/c1-2-8-14(11,12)7-3-5-13(9,10)6-4-7/h7-8H,2-6H2,1H3
InChIKeyBIONPMTZUKXWHF-UHFFFAOYSA-N
XLogP-0.50
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2H-Thiopyran-4-amine, tetrahydro-, 1,1-dioxide
CID 418808
3-(Ethanesulfonyl)propan-1-amine
CID 21458690
1,1-dioxo-N-propylthiolane-3-sulfonamide
CID 18593872
3-Propylsulfonylpropan-1-amine
CID 20792595
1-(Butylsulfonyl)eth-2-ylamine
CID 21749622
2-(Propylsulfonyl)ethanamine
CID 22017896
1-(Pentylsulfonyl)eth-2-ylamine
CID 33780190
3-Propan-2-ylsulfonylpropan-1-amine
CID 39236043
2-Butan-2-ylsulfonylethanamine
CID 43444509
N-(3-methylsulfonylpropyl)methanesulfonamide
CID 47387492
N-(2-butylsulfanylethyl)methanesulfonamide
CID 53679791
2,3-Bis(methylsulfonyl)propan-1-amine
CID 54260184

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-ethyl-1,1-dioxothiane-4-sulfonamide (CID 62086014) is N-ethyl-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-ethyl-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-ethyl-1,1-dioxothiane-4-sulfonamide is CCNS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-ethyl-1,1-dioxothiane-4-sulfonamide?
The InChIKey is BIONPMTZUKXWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S2/c1-2-8-14(11,12)7-3-5-13(9,10)6-4-7/h7-8H,2-6H2,1H3.
What are the key properties of N-ethyl-1,1-dioxothiane-4-sulfonamide?
N-ethyl-1,1-dioxothiane-4-sulfonamide has a molecular weight of 241.33 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 62086014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).