N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

C9H17NO4S — CID 64994230

IUPACN-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(=O)C(C)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H17NO4S/c1-7(8(2)11)10-15(12,13)6-9-4-3-5-14-9/h7,9-10H,3-6H2,1-2H3
InChIKeyXEOTVGOTXLJNJR-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.06
Rot. Bonds5

About N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 64994230) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID64994230
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC NameN-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(=O)C(C)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H17NO4S/c1-7(8(2)11)10-15(12,13)6-9-4-3-5-14-9/h7,9-10H,3-6H2,1-2H3
InChIKeyXEOTVGOTXLJNJR-UHFFFAOYSA-N
XLogP0.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
(2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid
CID 79011082
N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246921
3-(oxolan-2-ylmethylsulfonylamino)butanethioamide
CID 63246950
3-methoxy-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 81076359
1-[(2S)-oxolan-2-yl]-N-[(2R)-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 99827262
4-amino-4-oxo-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid
CID 63246428
4-(oxolan-2-ylmethylsulfonyl)pentan-2-one
CID 106497123
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
(2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid
CID 63247069
N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 65037518
N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 55219930

Frequently Asked Questions

What is the IUPAC name of N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (CID 64994230) is N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is CC(=O)C(C)NS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is XEOTVGOTXLJNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-7(8(2)11)10-15(12,13)6-9-4-3-5-14-9/h7,9-10H,3-6H2,1-2H3.
What are the key properties of N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 235.30 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 64994230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).