2-(2-aminobutylsulfinyl)-N-tert-butylacetamide

C10H22N2O2S — CID 81188701

IUPAC2-(2-aminobutylsulfinyl)-N-tert-butylacetamide
SMILESCCC(N)CS(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O2S/c1-5-8(11)6-15(14)7-9(13)12-10(2,3)4/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyULKKWUHOAUHWIP-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.39
Rot. Bonds5

About 2-(2-aminobutylsulfinyl)-N-tert-butylacetamide

2-(2-aminobutylsulfinyl)-N-tert-butylacetamide (PubChem CID 81188701) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-(2-aminobutylsulfinyl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfinyl)-N-tert-butylacetamide
PubChem CID81188701
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-(2-aminobutylsulfinyl)-N-tert-butylacetamide
SMILESCCC(N)CS(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O2S/c1-5-8(11)6-15(14)7-9(13)12-10(2,3)4/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyULKKWUHOAUHWIP-UHFFFAOYSA-N
XLogP0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminobutylsulfinyl)-N-phenylacetamide
CID 81193786
4-(2-aminobutylsulfinyl)-N-methylbutanamide
CID 81189749
2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide
CID 81187704
(2S)-2-amino-N-tert-butylbutanamide
CID 79025313
(2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide
CID 103833053
2-(2-aminopropylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81189999
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide
CID 43515212
2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide
CID 81194284
2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide
CID 81201708
N-tert-butyl-3-(2-ethylbutylamino)propanamide
CID 115756724
butyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate
CID 118899192
N-tert-butyl-3-(2-methylbutylamino)propanamide
CID 115887441

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfinyl)-N-tert-butylacetamide?
The IUPAC name of 2-(2-aminobutylsulfinyl)-N-tert-butylacetamide (CID 81188701) is 2-(2-aminobutylsulfinyl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(2-aminobutylsulfinyl)-N-tert-butylacetamide?
The canonical SMILES for 2-(2-aminobutylsulfinyl)-N-tert-butylacetamide is CCC(N)CS(=O)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-(2-aminobutylsulfinyl)-N-tert-butylacetamide?
The InChIKey is ULKKWUHOAUHWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-5-8(11)6-15(14)7-9(13)12-10(2,3)4/h8H,5-7,11H2,1-4H3,(H,12,13).
What are the key properties of 2-(2-aminobutylsulfinyl)-N-tert-butylacetamide?
2-(2-aminobutylsulfinyl)-N-tert-butylacetamide has a molecular weight of 234.36 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylsulfinyl)-N-tert-butylacetamide is sourced from PubChem (CID 81188701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).