N-(1,1-dioxothian-4-yl)ethanesulfonamide

C7H15NO4S2 — CID 64586482

IUPACN-(1,1-dioxothian-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO4S2/c1-2-14(11,12)8-7-3-5-13(9,10)6-4-7/h7-8H,2-6H2,1H3
InChIKeyMPYGTWCNYXPABX-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.50
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)ethanesulfonamide

N-(1,1-dioxothian-4-yl)ethanesulfonamide (PubChem CID 64586482) has the molecular formula C7H15NO4S2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)ethanesulfonamide
PubChem CID64586482
Molecular FormulaC7H15NO4S2
Molecular Weight241.33 g/mol
Exact Mass241.04
IUPAC NameN-(1,1-dioxothian-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO4S2/c1-2-14(11,12)8-7-3-5-13(9,10)6-4-7/h7-8H,2-6H2,1H3
InChIKeyMPYGTWCNYXPABX-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

1-bromo-N-(1,1-dioxothian-4-yl)methanesulfonamide
CID 83084232
N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide
CID 131900362
N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide
CID 22772497
N-heptan-4-yl-1,1-dioxothian-4-amine
CID 43615035
N-(1,1-dioxothiolan-2-yl)ethanesulfonamide
CID 151625177
4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 60808887
ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide
CID 144690216
N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61356177
1-(4-cyanophenyl)-N-(1,1-dioxothian-4-yl)methanesulfonamide
CID 43615313
N-(4-aminocyclohexyl)ethanesulfonamide;cyclohexane-1,4-diamine;ethanesulfonyl chloride;hydrochloride
CID 159955669
N-(1-cyclopentylpiperidin-4-yl)ethanesulfonamide
CID 110752084
N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide
CID 47372558

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)ethanesulfonamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)ethanesulfonamide (CID 64586482) is N-(1,1-dioxothian-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)ethanesulfonamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)ethanesulfonamide is CCS(=O)(=O)NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)ethanesulfonamide?
The InChIKey is MPYGTWCNYXPABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S2/c1-2-14(11,12)8-7-3-5-13(9,10)6-4-7/h7-8H,2-6H2,1H3.
What are the key properties of N-(1,1-dioxothian-4-yl)ethanesulfonamide?
N-(1,1-dioxothian-4-yl)ethanesulfonamide 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-(1,1-dioxothian-4-yl)ethanesulfonamide is sourced from PubChem (CID 64586482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).