N-(3-oxobutan-2-yl)methanesulfinamide

C5H11NO2S — CID 130993696

IUPACN-(3-oxobutan-2-yl)methanesulfinamide
SMILESCC(=O)C(C)NS(C)=O
InChIInChI=1S/C5H11NO2S/c1-4(5(2)7)6-9(3)8/h4,6H,1-3H3
InChIKeyYHTSZYKBOLBSPA-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.15
Rot. Bonds3

About N-(3-oxobutan-2-yl)methanesulfinamide

N-(3-oxobutan-2-yl)methanesulfinamide (PubChem CID 130993696) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is N-(3-oxobutan-2-yl)methanesulfinamide.

Molecular Properties

Compound NameN-(3-oxobutan-2-yl)methanesulfinamide
PubChem CID130993696
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC NameN-(3-oxobutan-2-yl)methanesulfinamide
SMILESCC(=O)C(C)NS(C)=O
InChIInChI=1S/C5H11NO2S/c1-4(5(2)7)6-9(3)8/h4,6H,1-3H3
InChIKeyYHTSZYKBOLBSPA-UHFFFAOYSA-N
XLogP-0.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
CID 90262242
N-(1-cyanopropan-2-yl)methanesulfinamide
CID 130892472
2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 88930533
N-pent-4-yn-2-ylmethanesulfinamide
CID 130834467
ethane;3-(ethylamino)butan-2-one
CID 145148121
CID 160852086
CID 160852086
N-(3-oxobutan-2-yl)propanamide
CID 22943760
3-propan-2-ylsulfinylbutan-2-one
CID 64638745
N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide
CID 122663020
N-pentan-2-ylmethanesulfinamide
CID 123141718
(3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one
CID 58693175
3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 90264855

Frequently Asked Questions

What is the IUPAC name of N-(3-oxobutan-2-yl)methanesulfinamide?
The IUPAC name of N-(3-oxobutan-2-yl)methanesulfinamide (CID 130993696) is N-(3-oxobutan-2-yl)methanesulfinamide.
What is the SMILES notation for N-(3-oxobutan-2-yl)methanesulfinamide?
The canonical SMILES for N-(3-oxobutan-2-yl)methanesulfinamide is CC(=O)C(C)NS(C)=O.
What is the InChIKey of N-(3-oxobutan-2-yl)methanesulfinamide?
The InChIKey is YHTSZYKBOLBSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4(5(2)7)6-9(3)8/h4,6H,1-3H3.
What are the key properties of N-(3-oxobutan-2-yl)methanesulfinamide?
N-(3-oxobutan-2-yl)methanesulfinamide has a molecular weight of 149.21 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxobutan-2-yl)methanesulfinamide is sourced from PubChem (CID 130993696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).