2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide

C12H23NO3S — CID 64640143

IUPAC2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCCCCS(=O)CC(=O)NC(C(C)=O)C(C)C
InChIInChI=1S/C12H23NO3S/c1-5-6-7-17(16)8-11(15)13-12(9(2)3)10(4)14/h9,12H,5-8H2,1-4H3,(H,13,15)
InChIKeyFNVBVEWWKUXPIM-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.26
Rot. Bonds8

About 2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 64640143) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID64640143
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCCCCS(=O)CC(=O)NC(C(C)=O)C(C)C
InChIInChI=1S/C12H23NO3S/c1-5-6-7-17(16)8-11(15)13-12(9(2)3)10(4)14/h9,12H,5-8H2,1-4H3,(H,13,15)
InChIKeyFNVBVEWWKUXPIM-UHFFFAOYSA-N
XLogP1.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide
CID 158440925
1-butylsulfinylpropan-2-one
CID 64640941
3-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfinylpropanoic acid
CID 61489147
N-(2-methyl-4-oxopentan-3-yl)-2-(4-propylpiperazin-1-yl)acetamide
CID 43234442
2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 64635525
2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 103189926
2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793733
3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide
CID 142180452
2-(4-methoxyphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 64638639
2-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfinylacetic acid
CID 61489146
2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 64637809
2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62035731

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 64640143) is 2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide is CCCCS(=O)CC(=O)NC(C(C)=O)C(C)C.
What is the InChIKey of 2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is FNVBVEWWKUXPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-5-6-7-17(16)8-11(15)13-12(9(2)3)10(4)14/h9,12H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 261.39 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 64640143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).