4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide

C8H18N2O2S — CID 81175634

IUPAC4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)CCN
InChIInChI=1S/C8H18N2O2S/c1-10(2)8(11)4-3-6-13(12)7-5-9/h3-7,9H2,1-2H3
InChIKeyPAZMZKNOYJTOBV-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.44
Rot. Bonds6

About 4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide

4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide (PubChem CID 81175634) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide
PubChem CID81175634
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)CCN
InChIInChI=1S/C8H18N2O2S/c1-10(2)8(11)4-3-6-13(12)7-5-9/h3-7,9H2,1-2H3
InChIKeyPAZMZKNOYJTOBV-UHFFFAOYSA-N
XLogP-0.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide
CID 170769914
Bis[2-(n-butyrylamino)ethyl]sulfoxide
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3-[3-(Dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 23451991
N-methyl-4-methylsulfinylbutanamide
CID 56994951
2-amino-N,N-dimethyl-4-methylsulfinylbutanamide
CID 58684001
CID 58918893
CID 58918893
CID 59866887
CID 59866887
N-[2-(dimethylamino)ethyl]-4-methylsulfonylbutanamide
CID 84321223
3-[2-(dimethylamino)ethylsulfanyl]-N-methylpropanamide
CID 88553392
N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide
CID 89340710
N-methyl-4-propylsulfonylbutanamide
CID 89597178
4-(2-Acetamidoethylsulfonyl)butanamide
CID 90011139

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide (CID 81175634) is 4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide is CN(C)C(=O)CCCS(=O)CCN.
What is the InChIKey of 4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide?
The InChIKey is PAZMZKNOYJTOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-10(2)8(11)4-3-6-13(12)7-5-9/h3-7,9H2,1-2H3.
What are the key properties of 4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide?
4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide has a molecular weight of 206.31 g/mol, XLogP of -0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylsulfinyl)-N,N-dimethylbutanamide is sourced from PubChem (CID 81175634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).