ethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide

C10H21NO4S — CID 176706755

IUPACethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide
SMILESCC.CS(=O)(=O)CCC(=O)NCC1CCO1
InChIInChI=1S/C8H15NO4S.C2H6/c1-14(11,12)5-3-8(10)9-6-7-2-4-13-7;1-2/h7H,2-6H2,1H3,(H,9,10);1-2H3
InChIKeyUNYHFQCJVSDVHO-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.35
Rot. Bonds5

About ethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide

ethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide (PubChem CID 176706755) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is ethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide.

Molecular Properties

Compound Nameethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide
PubChem CID176706755
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Nameethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide
SMILESCC.CS(=O)(=O)CCC(=O)NCC1CCO1
InChIInChI=1S/C8H15NO4S.C2H6/c1-14(11,12)5-3-8(10)9-6-7-2-4-13-7;1-2/h7H,2-6H2,1H3,(H,9,10);1-2H3
InChIKeyUNYHFQCJVSDVHO-UHFFFAOYSA-N
XLogP0.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
3-methylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 131910089
N-(oxetan-2-ylmethyl)acetamide
CID 166482133
N-(oxolan-2-ylmethyl)-2-(propylsulfonylamino)acetamide
CID 112991356
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
3-[(4-methylphenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3237021
3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 110632601
2-methyl-1-(2-methylsulfonylethyl)-3-(oxolan-2-ylmethyl)guanidine
CID 111136665
3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 60849170
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
N,N'-bis(oxiran-2-ylmethyl)butanediamide
CID 175178142
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113142021

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide?
The IUPAC name of ethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide (CID 176706755) is ethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide.
What is the SMILES notation for ethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide?
The canonical SMILES for ethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide is CC.CS(=O)(=O)CCC(=O)NCC1CCO1.
What is the InChIKey of ethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide?
The InChIKey is UNYHFQCJVSDVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S.C2H6/c1-14(11,12)5-3-8(10)9-6-7-2-4-13-7;1-2/h7H,2-6H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide?
ethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide has a molecular weight of 251.35 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylsulfonyl-N-(oxetan-2-ylmethyl)propanamide is sourced from PubChem (CID 176706755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).