N-(2-oxobutyl)ethanesulfonamide

C6H13NO3S — CID 134302235

IUPACN-(2-oxobutyl)ethanesulfonamide
SMILESCCC(=O)CNS(=O)(=O)CC
InChIInChI=1S/C6H13NO3S/c1-3-6(8)5-7-11(9,10)4-2/h7H,3-5H2,1-2H3
InChIKeyOXRHSUKWCQSHKI-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.10
Rot. Bonds5

About N-(2-oxobutyl)ethanesulfonamide

N-(2-oxobutyl)ethanesulfonamide (PubChem CID 134302235) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is N-(2-oxobutyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-oxobutyl)ethanesulfonamide
PubChem CID134302235
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC NameN-(2-oxobutyl)ethanesulfonamide
SMILESCCC(=O)CNS(=O)(=O)CC
InChIInChI=1S/C6H13NO3S/c1-3-6(8)5-7-11(9,10)4-2/h7H,3-5H2,1-2H3
InChIKeyOXRHSUKWCQSHKI-UHFFFAOYSA-N
XLogP-0.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylsulfonylamino)-N-methylacetamide
CID 61362851
1-(iodoamino)butan-2-one
CID 147536342
2-oxobutylcarbamic acid
CID 87278919
N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
CID 119967617
pentan-3-one;trihydrochloride
CID 172711203
hydrogen peroxide;pentan-3-one
CID 18361632
ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate
CID 110285439
N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide
CID 58597503
ethane;1-(propan-2-ylamino)butan-2-one
CID 176992456
3-oxo-4-(2-oxobutylamino)butanamide
CID 135274363
2-oxo-N-(2-oxobutyl)acetamide
CID 22335308
8-(ethylsulfonylamino)octanoic acid
CID 21103229

Frequently Asked Questions

What is the IUPAC name of N-(2-oxobutyl)ethanesulfonamide?
The IUPAC name of N-(2-oxobutyl)ethanesulfonamide (CID 134302235) is N-(2-oxobutyl)ethanesulfonamide.
What is the SMILES notation for N-(2-oxobutyl)ethanesulfonamide?
The canonical SMILES for N-(2-oxobutyl)ethanesulfonamide is CCC(=O)CNS(=O)(=O)CC.
What is the InChIKey of N-(2-oxobutyl)ethanesulfonamide?
The InChIKey is OXRHSUKWCQSHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-3-6(8)5-7-11(9,10)4-2/h7H,3-5H2,1-2H3.
What are the key properties of N-(2-oxobutyl)ethanesulfonamide?
N-(2-oxobutyl)ethanesulfonamide has a molecular weight of 179.24 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxobutyl)ethanesulfonamide is sourced from PubChem (CID 134302235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).