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

C5H11NO3S — CID 22083952

IUPACN-(1-oxobutan-2-yl)methanesulfonamide
SMILESCCC(C=O)NS(C)(=O)=O
InChIInChI=1S/C5H11NO3S/c1-3-5(4-7)6-10(2,8)9/h4-6H,3H2,1-2H3
InChIKeyZQMXBAQVDKMWSR-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.49
Rot. Bonds4

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

N-(1-oxobutan-2-yl)methanesulfonamide (PubChem CID 22083952) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is N-(1-oxobutan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-oxobutan-2-yl)methanesulfonamide
PubChem CID22083952
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC NameN-(1-oxobutan-2-yl)methanesulfonamide
SMILESCCC(C=O)NS(C)(=O)=O
InChIInChI=1S/C5H11NO3S/c1-3-5(4-7)6-10(2,8)9/h4-6H,3H2,1-2H3
InChIKeyZQMXBAQVDKMWSR-UHFFFAOYSA-N
XLogP-0.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(1-oxobutan-2-yl)benzenesulfonamide
CID 173407704
N-(3-hydroxypentan-2-yl)methanesulfonamide
CID 131228014
N-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+)
CID 22083951
N-[(2S)-1-oxobutan-2-yl]acetamide
CID 55299338
2-(butylamino)butanal
CID 54251429
N-[(2S)-1,4-dioxobutan-2-yl]hexadecane-1-sulfonamide
CID 173342125
2-(cyclohexylamino)butanal
CID 143660435
(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide
CID 123756071
2-methyl-N-methylsulfonylbutane-1-sulfonamide
CID 158232370
N-undecan-6-ylmethanesulfonamide
CID 54511279
buta-1,3-diene;ethane;N-(1-oxobutan-2-yl)methanesulfonamide;tungsten;yttrium
CID 160595693
ethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate
CID 144903743

Frequently Asked Questions

What is the IUPAC name of N-(1-oxobutan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-oxobutan-2-yl)methanesulfonamide (CID 22083952) is N-(1-oxobutan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-oxobutan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-oxobutan-2-yl)methanesulfonamide is CCC(C=O)NS(C)(=O)=O.
What is the InChIKey of N-(1-oxobutan-2-yl)methanesulfonamide?
The InChIKey is ZQMXBAQVDKMWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-3-5(4-7)6-10(2,8)9/h4-6H,3H2,1-2H3.
What are the key properties of N-(1-oxobutan-2-yl)methanesulfonamide?
N-(1-oxobutan-2-yl)methanesulfonamide has a molecular weight of 165.21 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxobutan-2-yl)methanesulfonamide is sourced from PubChem (CID 22083952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).