2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide

C9H20N2O2S — CID 81187704

IUPAC2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide
SMILESCC(CN)S(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C9H20N2O2S/c1-7(5-10)14(13)6-8(12)11-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyDRGVHLQIHBWJQJ-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.00
Rot. Bonds4

About 2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide

2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide (PubChem CID 81187704) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide
PubChem CID81187704
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide
SMILESCC(CN)S(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C9H20N2O2S/c1-7(5-10)14(13)6-8(12)11-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyDRGVHLQIHBWJQJ-UHFFFAOYSA-N
XLogP-0.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide
CID 81187012
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972
3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]sulfinylbutanoic acid
CID 66115959
2-(4-aminobutan-2-ylsulfinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81195692
2-(2-aminobutylsulfinyl)-N-tert-butylacetamide
CID 81188701
2-(1-aminopropan-2-ylsulfinyl)-N-methyl-N-propan-2-ylacetamide
CID 81186323
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide
CID 107442563
4-amino-N-tert-butyl-3-(1,4-thiazepan-4-yl)butanamide
CID 66431637
4-amino-N-tert-butyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]butanamide
CID 103188107
(2S)-1-aminopropane-2-sulfinic acid
CID 167729808
4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide
CID 83177401
2-pentylsulfinylpropan-1-amine
CID 81186667

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide?
The IUPAC name of 2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide (CID 81187704) is 2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide is CC(CN)S(=O)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide?
The InChIKey is DRGVHLQIHBWJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-7(5-10)14(13)6-8(12)11-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12).
What are the key properties of 2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide?
2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide has a molecular weight of 220.34 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide is sourced from PubChem (CID 81187704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).