4-(2-aminobutylsulfinyl)-N-methylbutanamide

C9H20N2O2S — CID 81189749

IUPAC4-(2-aminobutylsulfinyl)-N-methylbutanamide
SMILESCCC(N)CS(=O)CCCC(=O)NC
InChIInChI=1S/C9H20N2O2S/c1-3-8(10)7-14(13)6-4-5-9(12)11-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyVSBWTUBDZYBXDP-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.00
Rot. Bonds7

About 4-(2-aminobutylsulfinyl)-N-methylbutanamide

4-(2-aminobutylsulfinyl)-N-methylbutanamide (PubChem CID 81189749) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-(2-aminobutylsulfinyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(2-aminobutylsulfinyl)-N-methylbutanamide
PubChem CID81189749
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name4-(2-aminobutylsulfinyl)-N-methylbutanamide
SMILESCCC(N)CS(=O)CCCC(=O)NC
InChIInChI=1S/C9H20N2O2S/c1-3-8(10)7-14(13)6-4-5-9(12)11-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyVSBWTUBDZYBXDP-UHFFFAOYSA-N
XLogP-0.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methylhexanamide
CID 118906510
1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine
CID 103416100
1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine
CID 81189963
N,N'-dimethylheptanediamide
CID 15166696
1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine
CID 81189513
1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine
CID 106735786
4-(2-methylbutylsulfinyl)butanoic acid
CID 107753321
ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide
CID 145216593
ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
CID 63890128
N-methylheptacosanamide
CID 18175889
N-methylundecanamide
CID 23297450
N-methyl-4-(sulfanylamino)butanamide
CID 59695052

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutylsulfinyl)-N-methylbutanamide?
The IUPAC name of 4-(2-aminobutylsulfinyl)-N-methylbutanamide (CID 81189749) is 4-(2-aminobutylsulfinyl)-N-methylbutanamide.
What is the SMILES notation for 4-(2-aminobutylsulfinyl)-N-methylbutanamide?
The canonical SMILES for 4-(2-aminobutylsulfinyl)-N-methylbutanamide is CCC(N)CS(=O)CCCC(=O)NC.
What is the InChIKey of 4-(2-aminobutylsulfinyl)-N-methylbutanamide?
The InChIKey is VSBWTUBDZYBXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-8(10)7-14(13)6-4-5-9(12)11-2/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 4-(2-aminobutylsulfinyl)-N-methylbutanamide?
4-(2-aminobutylsulfinyl)-N-methylbutanamide has a molecular weight of 220.34 g/mol, XLogP of -0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutylsulfinyl)-N-methylbutanamide is sourced from PubChem (CID 81189749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).